1-(C,N-dimethylcarbonimidoyl)azetidine-3-thiol

C6H12N2S — CID 19069722

IUPAC1-(C,N-dimethylcarbonimidoyl)azetidine-3-thiol
SMILESC/N=C(\C)N1CC(S)C1
InChIInChI=1S/C6H12N2S/c1-5(7-2)8-3-6(9)4-8/h6,9H,3-4H2,1-2H3/b7-5+
InChIKeyIAAUJIOUGCFJOO-FNORWQNLSA-N
MW144.24 g/mol
LogP0.65
Rot. Bonds

About 1-(C,N-dimethylcarbonimidoyl)azetidine-3-thiol

1-(C,N-dimethylcarbonimidoyl)azetidine-3-thiol (PubChem CID 19069722) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is 1-(C,N-dimethylcarbonimidoyl)azetidine-3-thiol.

Molecular Properties

Compound Name1-(C,N-dimethylcarbonimidoyl)azetidine-3-thiol
PubChem CID19069722
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Name1-(C,N-dimethylcarbonimidoyl)azetidine-3-thiol
SMILESC/N=C(\C)N1CC(S)C1
InChIInChI=1S/C6H12N2S/c1-5(7-2)8-3-6(9)4-8/h6,9H,3-4H2,1-2H3/b7-5+
InChIKeyIAAUJIOUGCFJOO-FNORWQNLSA-N
XLogP0.65
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 50.65
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-(C,N-dimethylcarbonimidoyl)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-(3,6-dihydro-2H-1,4-thiazin-5-yl)azetidine-3-thiol
CID 139962055
N,N-diethyl-N'-methylethanimidamide;ethane;propane-1-thiol
CID 156751234
N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide;ethane
CID 156861475
(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methanethiol
CID 163429469
1-(Methyliminomethyl)azetidine-3-thiol
CID 163973882
ethane;N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide
CID 170645840
N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide
CID 156861476
N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide
CID 170645841

Frequently Asked Questions

What is the IUPAC name of 1-(C,N-dimethylcarbonimidoyl)azetidine-3-thiol?
The IUPAC name of 1-(C,N-dimethylcarbonimidoyl)azetidine-3-thiol (CID 19069722) is 1-(C,N-dimethylcarbonimidoyl)azetidine-3-thiol.
What is the SMILES notation for 1-(C,N-dimethylcarbonimidoyl)azetidine-3-thiol?
The canonical SMILES for 1-(C,N-dimethylcarbonimidoyl)azetidine-3-thiol is C/N=C(\C)N1CC(S)C1.
What is the InChIKey of 1-(C,N-dimethylcarbonimidoyl)azetidine-3-thiol?
The InChIKey is IAAUJIOUGCFJOO-FNORWQNLSA-N. The full InChI is InChI=1S/C6H12N2S/c1-5(7-2)8-3-6(9)4-8/h6,9H,3-4H2,1-2H3/b7-5+.
What are the key properties of 1-(C,N-dimethylcarbonimidoyl)azetidine-3-thiol?
1-(C,N-dimethylcarbonimidoyl)azetidine-3-thiol has a molecular weight of 144.24 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(C,N-dimethylcarbonimidoyl)azetidine-3-thiol is sourced from PubChem (CID 19069722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).