25343-91-3
C₅H₁₁NO₂S·149.210 g/mol·CID 91413
IUPAC: 4-methyl-1,4-thiazinane 1,1-dioxide
Also known as: 4-Methylthiomorpholine-1,1-dioxide, Thiomorpholine, 4-methyl-, 1,1-dioxide, EINECS 246-877-5, NSC 84240, BRN 0114527 (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
149.210g/mol
Exact Mass
149.051050Da
Monoisotopic Mass
149.051050Da
XLogP
-0.6
Polar Surface Area
45.8Ų
Complexity
166
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
3
Rotatable Bonds
0
Heavy Atoms
9
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 149.2 g/mol
MW ≤ 500
✓ -0.6
LogP ≤ 5
✓ 0
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H315Causes skin irritationH319Causes serious eye irritationH335May cause respiratory irritation
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₅H₁₁NO₂S
(2S)-2-amino-4-methylsulfanylbutanoic acid
CID 6137 · 149.2 g/mol
(2S)-2-amino-3-methyl-3-sulfanylbutanoic acid
CID 5852 · 149.2 g/mol
2-amino-4-methylsulfanylbutanoic acid
CID 876 · 149.2 g/mol
(2R)-2-amino-4-methylsulfanylbutanoic acid
CID 84815 · 149.2 g/mol
2-amino-3-methyl-3-sulfanylbutanoic acid
CID 4727 · 149.2 g/mol
(2S)-2-azaniumyl-4-methylsulfanylbutanoate
CID 6992087 · 149.2 g/mol
(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid
CID 92863 · 149.2 g/mol
(2R)-2-amino-3-ethylsulfanylpropanoic acid
CID 92185 · 149.2 g/mol