1-oxothiolan-3-amine

C4H9NOS — CID 54595890

IUPAC1-oxothiolan-3-amine
SMILESNC1CCS(=O)C1
InChIInChI=1S/C4H9NOS/c5-4-1-2-7(6)3-4/h4H,1-3,5H2
InChIKeyIZIQAJJTLDOLGI-UHFFFAOYSA-N
MW119.19 g/mol
LogP-0.53
Rot. Bonds

About 1-oxothiolan-3-amine

1-oxothiolan-3-amine (PubChem CID 54595890) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is 1-oxothiolan-3-amine.

Molecular Properties

Compound Name1-oxothiolan-3-amine
PubChem CID54595890
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC Name1-oxothiolan-3-amine
SMILESNC1CCS(=O)C1
InChIInChI=1S/C4H9NOS/c5-4-1-2-7(6)3-4/h4H,1-3,5H2
InChIKeyIZIQAJJTLDOLGI-UHFFFAOYSA-N
XLogP-0.53
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-oxothiolan-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-oxothiolan-3-amine?
The IUPAC name of 1-oxothiolan-3-amine (CID 54595890) is 1-oxothiolan-3-amine.
What is the SMILES notation for 1-oxothiolan-3-amine?
The canonical SMILES for 1-oxothiolan-3-amine is NC1CCS(=O)C1.
What is the InChIKey of 1-oxothiolan-3-amine?
The InChIKey is IZIQAJJTLDOLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS/c5-4-1-2-7(6)3-4/h4H,1-3,5H2.
What are the key properties of 1-oxothiolan-3-amine?
1-oxothiolan-3-amine has a molecular weight of 119.19 g/mol, XLogP of -0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxothiolan-3-amine is sourced from PubChem (CID 54595890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).