1,3-Propanesultam
C₃H₇NO₂S·121.160 g/mol·CID 642157
IUPAC: 1,2-thiazolidine 1,1-dioxide
Also known as: RefChem:415716, 800-732-8, isothiazolidine 1,1-dioxide, 5908-62-3, 1,2-thiazolidine 1,1-dioxide (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
121.160g/mol
Exact Mass
121.019750Da
Monoisotopic Mass
121.019750Da
XLogP
-0.5
Polar Surface Area
54.6Ų
Complexity
143
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
3
Rotatable Bonds
0
Heavy Atoms
7
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 121.2 g/mol
MW ≤ 500
✓ -0.5
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H302Harmful if swallowed
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₃H₇NO₂S
(2R)-2-amino-3-sulfanylpropanoic acid
CID 5862 · 121.2 g/mol
(2R)-2-azaniumyl-3-sulfanylpropanoate
CID 6419722 · 121.2 g/mol
2-amino-3-sulfanylpropanoic acid
CID 594 · 121.2 g/mol
(2S)-2-amino-3-sulfanylpropanoic acid
CID 92851 · 121.2 g/mol
(2S)-2-azaniumyl-3-sulfanylpropanoate
CID 6419721 · 121.2 g/mol
2-azaniumyl-3-sulfanylpropanoate
CID 5260155 · 121.2 g/mol
cyclopropanesulfonamide
CID 15765418 · 121.2 g/mol
prop-2-ene-1-sulfonamide
CID 14028213 · 121.2 g/mol