(Z)-N-methyl-3-(thian-2-yl)prop-2-en-1-amine

C9H17NS — CID 117265771

IUPAC(Z)-N-methyl-3-(thian-2-yl)prop-2-en-1-amine
SMILESCNC/C=C\C1CCCCS1
InChIInChI=1S/C9H17NS/c1-10-7-4-6-9-5-2-3-8-11-9/h4,6,9-10H,2-3,5,7-8H2,1H3/b6-4-
InChIKeyFOLDNKDUWLBSQW-XQRVVYSFSA-N
MW171.31 g/mol
LogP2.05
Rot. Bonds3

About (Z)-N-methyl-3-(thian-2-yl)prop-2-en-1-amine

(Z)-N-methyl-3-(thian-2-yl)prop-2-en-1-amine (PubChem CID 117265771) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is (Z)-N-methyl-3-(thian-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N-methyl-3-(thian-2-yl)prop-2-en-1-amine
PubChem CID117265771
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name(Z)-N-methyl-3-(thian-2-yl)prop-2-en-1-amine
SMILESCNC/C=C\C1CCCCS1
InChIInChI=1S/C9H17NS/c1-10-7-4-6-9-5-2-3-8-11-9/h4,6,9-10H,2-3,5,7-8H2,1H3/b6-4-
InChIKeyFOLDNKDUWLBSQW-XQRVVYSFSA-N
XLogP2.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-methyl-3-(thian-2-yl)prop-2-en-1-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 (Z)-N-methyl-3-(thian-2-yl)prop-2-en-1-amine?
The IUPAC name of (Z)-N-methyl-3-(thian-2-yl)prop-2-en-1-amine (CID 117265771) is (Z)-N-methyl-3-(thian-2-yl)prop-2-en-1-amine.
What is the SMILES notation for (Z)-N-methyl-3-(thian-2-yl)prop-2-en-1-amine?
The canonical SMILES for (Z)-N-methyl-3-(thian-2-yl)prop-2-en-1-amine is CNC/C=C\C1CCCCS1.
What is the InChIKey of (Z)-N-methyl-3-(thian-2-yl)prop-2-en-1-amine?
The InChIKey is FOLDNKDUWLBSQW-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H17NS/c1-10-7-4-6-9-5-2-3-8-11-9/h4,6,9-10H,2-3,5,7-8H2,1H3/b6-4-.
What are the key properties of (Z)-N-methyl-3-(thian-2-yl)prop-2-en-1-amine?
(Z)-N-methyl-3-(thian-2-yl)prop-2-en-1-amine has a molecular weight of 171.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-3-(thian-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 117265771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).