3-methyl-1-oxo-1,2,5-thiadiazolidin-2-amine

C3H9N3OS — CID 163645121

IUPAC3-methyl-1-oxo-1,2,5-thiadiazolidin-2-amine
SMILESCC1CNS(=O)N1N
InChIInChI=1S/C3H9N3OS/c1-3-2-5-8(7)6(3)4/h3,5H,2,4H2,1H3
InChIKeyIHPAHZFQUKFQJE-UHFFFAOYSA-N
MW135.19 g/mol
LogP-1.27
Rot. Bonds

About 3-methyl-1-oxo-1,2,5-thiadiazolidin-2-amine

3-methyl-1-oxo-1,2,5-thiadiazolidin-2-amine (PubChem CID 163645121) has the molecular formula C3H9N3OS and a molecular weight of 135.19 g/mol. Its IUPAC name is 3-methyl-1-oxo-1,2,5-thiadiazolidin-2-amine.

Molecular Properties

Compound Name3-methyl-1-oxo-1,2,5-thiadiazolidin-2-amine
PubChem CID163645121
Molecular FormulaC3H9N3OS
Molecular Weight135.19 g/mol
Exact Mass135.05
IUPAC Name3-methyl-1-oxo-1,2,5-thiadiazolidin-2-amine
SMILESCC1CNS(=O)N1N
InChIInChI=1S/C3H9N3OS/c1-3-2-5-8(7)6(3)4/h3,5H,2,4H2,1H3
InChIKeyIHPAHZFQUKFQJE-UHFFFAOYSA-N
XLogP-1.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze 3-methyl-1-oxo-1,2,5-thiadiazolidin-2-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 3-methyl-1-oxo-1,2,5-thiadiazolidin-2-amine?
The IUPAC name of 3-methyl-1-oxo-1,2,5-thiadiazolidin-2-amine (CID 163645121) is 3-methyl-1-oxo-1,2,5-thiadiazolidin-2-amine.
What is the SMILES notation for 3-methyl-1-oxo-1,2,5-thiadiazolidin-2-amine?
The canonical SMILES for 3-methyl-1-oxo-1,2,5-thiadiazolidin-2-amine is CC1CNS(=O)N1N.
What is the InChIKey of 3-methyl-1-oxo-1,2,5-thiadiazolidin-2-amine?
The InChIKey is IHPAHZFQUKFQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3OS/c1-3-2-5-8(7)6(3)4/h3,5H,2,4H2,1H3.
What are the key properties of 3-methyl-1-oxo-1,2,5-thiadiazolidin-2-amine?
3-methyl-1-oxo-1,2,5-thiadiazolidin-2-amine has a molecular weight of 135.19 g/mol, XLogP of -1.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-oxo-1,2,5-thiadiazolidin-2-amine is sourced from PubChem (CID 163645121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).