1-methylimino-1-oxothiolan-3-ol

C5H11NO2S — CID 130235689

IUPAC1-methylimino-1-oxothiolan-3-ol
SMILESCN=S1(=O)CCC(O)C1
InChIInChI=1S/C5H11NO2S/c1-6-9(8)3-2-5(7)4-9/h5,7H,2-4H2,1H3
InChIKeyFOWRCOWJXJWNOJ-UHFFFAOYSA-N
MW149.22 g/mol
LogP-0.15
Rot. Bonds

About 1-methylimino-1-oxothiolan-3-ol

1-methylimino-1-oxothiolan-3-ol (PubChem CID 130235689) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is 1-methylimino-1-oxothiolan-3-ol.

Molecular Properties

Compound Name1-methylimino-1-oxothiolan-3-ol
PubChem CID130235689
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name1-methylimino-1-oxothiolan-3-ol
SMILESCN=S1(=O)CCC(O)C1
InChIInChI=1S/C5H11NO2S/c1-6-9(8)3-2-5(7)4-9/h5,7H,2-4H2,1H3
InChIKeyFOWRCOWJXJWNOJ-UHFFFAOYSA-N
XLogP-0.15
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methylimino-1-oxothiolan-3-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-Hydroxy-1lambda~4~-thiolan-1-one
CID 54241219
1-Imino-1-oxo-thiolan-3-ol
CID 90139493
1-Methylimino-1-oxothian-4-ol
CID 129262099
1-Imino-4-methyl-1-oxothiolan-3-ol
CID 138672311
(1R,3R)-1-oxothiolan-3-ol
CID 155711670
(1S)-1-oxothiolan-3-ol
CID 175132344
(1R)-1-[(1R,2R)-2-methyl-1-oxo-1,3-dithiolan-2-yl]ethanol
CID 10856087
1-(2-Methyl-1,3-dioxo-1,3-dithiolan-2-yl)ethanol
CID 130128420
(1R)-1-[(2R)-2-methyl-1-oxo-1,3-dithiolan-2-yl]ethanol
CID 131123228
(1S,3R)-1-oxothiolan-3-ol
CID 165030412

Frequently Asked Questions

What is the IUPAC name of 1-methylimino-1-oxothiolan-3-ol?
The IUPAC name of 1-methylimino-1-oxothiolan-3-ol (CID 130235689) is 1-methylimino-1-oxothiolan-3-ol.
What is the SMILES notation for 1-methylimino-1-oxothiolan-3-ol?
The canonical SMILES for 1-methylimino-1-oxothiolan-3-ol is CN=S1(=O)CCC(O)C1.
What is the InChIKey of 1-methylimino-1-oxothiolan-3-ol?
The InChIKey is FOWRCOWJXJWNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-6-9(8)3-2-5(7)4-9/h5,7H,2-4H2,1H3.
What are the key properties of 1-methylimino-1-oxothiolan-3-ol?
1-methylimino-1-oxothiolan-3-ol has a molecular weight of 149.22 g/mol, XLogP of -0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimino-1-oxothiolan-3-ol is sourced from PubChem (CID 130235689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).