1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol

C7H15NO3S — CID 115019537

IUPAC1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol
SMILESCC(O)CC1CS(=O)(=O)CC1N
InChIInChI=1S/C7H15NO3S/c1-5(9)2-6-3-12(10,11)4-7(6)8/h5-7,9H,2-4,8H2,1H3
InChIKeyFFTPLGNQOUCZDG-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.87
Rot. Bonds2

About 1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol

1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol (PubChem CID 115019537) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol
PubChem CID115019537
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol
SMILESCC(O)CC1CS(=O)(=O)CC1N
InChIInChI=1S/C7H15NO3S/c1-5(9)2-6-3-12(10,11)4-7(6)8/h5-7,9H,2-4,8H2,1H3
InChIKeyFFTPLGNQOUCZDG-UHFFFAOYSA-N
XLogP-0.87
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N,3-N-bis(2-methylpropyl)-1,1-dioxothiolane-3,4-diamine
CID 62691467
(3S,4R)-4-amino-1,1-dioxothiolan-3-ol
CID 1380000
3-N-methyl-3-N-(2-methylpropyl)-1,1-dioxothiolane-3,4-diamine
CID 62692734
3-N,3-N-diethyl-1,1-dioxothiolane-3,4-diamine
CID 62694433
3-N-methyl-1,1-dioxo-3-N-pentan-3-ylthiolane-3,4-diamine
CID 62693591
(3S,4R)-4-[[(2S)-2-hydroxypropyl]amino]-1,1-dioxothiolan-3-ol
CID 124709547
3-N-ethyl-3-N-(2-methylbutyl)-1,1-dioxothiolane-3,4-diamine
CID 79476664
ethyl 2-[(3S,4R)-4-(2-ethoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate
CID 1382306
4-[2-(2-hydroxypropyl)piperidin-1-yl]-1,1-dioxothiolan-3-ol
CID 114337919
3-(2-fluoropropyl)-1,1-dioxothian-4-ol
CID 115026929
3-N-ethyl-3-N-(1-methoxypropan-2-yl)-1,1-dioxothiolane-3,4-diamine
CID 62692316
(3S,4S)-4-amino-1,1-dioxothiolane-3-sulfonic acid
CID 134811451

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol?
The IUPAC name of 1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol (CID 115019537) is 1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol.
What is the SMILES notation for 1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol?
The canonical SMILES for 1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol is CC(O)CC1CS(=O)(=O)CC1N.
What is the InChIKey of 1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol?
The InChIKey is FFTPLGNQOUCZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-5(9)2-6-3-12(10,11)4-7(6)8/h5-7,9H,2-4,8H2,1H3.
What are the key properties of 1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol?
1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol has a molecular weight of 193.27 g/mol, XLogP of -0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1,1-dioxothiolan-3-yl)propan-2-ol is sourced from PubChem (CID 115019537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).