1-(methyliminomethyl)azetidine-3-thiol

C5H10N2S — CID 163973882

IUPAC1-(methyliminomethyl)azetidine-3-thiol
SMILESC/N=C/N1CC(S)C1
InChIInChI=1S/C5H10N2S/c1-6-4-7-2-5(8)3-7/h4-5,8H,2-3H2,1H3/b6-4+
InChIKeySSJSABIRLCFIOY-GQCTYLIASA-N
MW130.22 g/mol
LogP0.26
Rot. Bonds1

About 1-(methyliminomethyl)azetidine-3-thiol

1-(methyliminomethyl)azetidine-3-thiol (PubChem CID 163973882) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is 1-(methyliminomethyl)azetidine-3-thiol.

Molecular Properties

Compound Name1-(methyliminomethyl)azetidine-3-thiol
PubChem CID163973882
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name1-(methyliminomethyl)azetidine-3-thiol
SMILESC/N=C/N1CC(S)C1
InChIInChI=1S/C5H10N2S/c1-6-4-7-2-5(8)3-7/h4-5,8H,2-3H2,1H3/b6-4+
InChIKeySSJSABIRLCFIOY-GQCTYLIASA-N
XLogP0.26
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-(methyliminomethyl)azetidine-3-thiol 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

1-(C,N-dimethylcarbonimidoyl)azetidine-3-thiol
CID 19069722
methyl N-methyl-3-sulfanylazetidine-1-carboximidothioate
CID 146334494
ethyl N-methylazetidine-1-carboximidothioate
CID 144990798

Frequently Asked Questions

What is the IUPAC name of 1-(methyliminomethyl)azetidine-3-thiol?
The IUPAC name of 1-(methyliminomethyl)azetidine-3-thiol (CID 163973882) is 1-(methyliminomethyl)azetidine-3-thiol.
What is the SMILES notation for 1-(methyliminomethyl)azetidine-3-thiol?
The canonical SMILES for 1-(methyliminomethyl)azetidine-3-thiol is C/N=C/N1CC(S)C1.
What is the InChIKey of 1-(methyliminomethyl)azetidine-3-thiol?
The InChIKey is SSJSABIRLCFIOY-GQCTYLIASA-N. The full InChI is InChI=1S/C5H10N2S/c1-6-4-7-2-5(8)3-7/h4-5,8H,2-3H2,1H3/b6-4+.
What are the key properties of 1-(methyliminomethyl)azetidine-3-thiol?
1-(methyliminomethyl)azetidine-3-thiol has a molecular weight of 130.22 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methyliminomethyl)azetidine-3-thiol is sourced from PubChem (CID 163973882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).