[(Z)-2-cyclopropylethenyl]sulfanylmethanamine

C6H11NS — CID 166649262

IUPAC[(Z)-2-cyclopropylethenyl]sulfanylmethanamine
SMILESNCS/C=C\C1CC1
InChIInChI=1S/C6H11NS/c7-5-8-4-3-6-1-2-6/h3-4,6H,1-2,5,7H2/b4-3-
InChIKeyZFSITJYZBAKWHF-ARJAWSKDSA-N
MW129.23 g/mol
LogP1.56
Rot. Bonds3

About [(Z)-2-cyclopropylethenyl]sulfanylmethanamine

[(Z)-2-cyclopropylethenyl]sulfanylmethanamine (PubChem CID 166649262) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is [(Z)-2-cyclopropylethenyl]sulfanylmethanamine.

Molecular Properties

Compound Name[(Z)-2-cyclopropylethenyl]sulfanylmethanamine
PubChem CID166649262
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name[(Z)-2-cyclopropylethenyl]sulfanylmethanamine
SMILESNCS/C=C\C1CC1
InChIInChI=1S/C6H11NS/c7-5-8-4-3-6-1-2-6/h3-4,6H,1-2,5,7H2/b4-3-
InChIKeyZFSITJYZBAKWHF-ARJAWSKDSA-N
XLogP1.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [(Z)-2-cyclopropylethenyl]sulfanylmethanamine 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 [(Z)-2-cyclopropylethenyl]sulfanylmethanamine?
The IUPAC name of [(Z)-2-cyclopropylethenyl]sulfanylmethanamine (CID 166649262) is [(Z)-2-cyclopropylethenyl]sulfanylmethanamine.
What is the SMILES notation for [(Z)-2-cyclopropylethenyl]sulfanylmethanamine?
The canonical SMILES for [(Z)-2-cyclopropylethenyl]sulfanylmethanamine is NCS/C=C\C1CC1.
What is the InChIKey of [(Z)-2-cyclopropylethenyl]sulfanylmethanamine?
The InChIKey is ZFSITJYZBAKWHF-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H11NS/c7-5-8-4-3-6-1-2-6/h3-4,6H,1-2,5,7H2/b4-3-.
What are the key properties of [(Z)-2-cyclopropylethenyl]sulfanylmethanamine?
[(Z)-2-cyclopropylethenyl]sulfanylmethanamine has a molecular weight of 129.23 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-cyclopropylethenyl]sulfanylmethanamine is sourced from PubChem (CID 166649262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).