N-(methylsulfanylmethyl)-2,3-dihydropyridin-3-amine

C7H12N2S — CID 163825926

IUPACN-(methylsulfanylmethyl)-2,3-dihydropyridin-3-amine
SMILESCSCNC1C=CC=NC1
InChIInChI=1S/C7H12N2S/c1-10-6-9-7-3-2-4-8-5-7/h2-4,7,9H,5-6H2,1H3
InChIKeyNZMMDVSZHKTASL-UHFFFAOYSA-N
MW156.25 g/mol
LogP0.91
Rot. Bonds3

About N-(methylsulfanylmethyl)-2,3-dihydropyridin-3-amine

N-(methylsulfanylmethyl)-2,3-dihydropyridin-3-amine (PubChem CID 163825926) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is N-(methylsulfanylmethyl)-2,3-dihydropyridin-3-amine.

Molecular Properties

Compound NameN-(methylsulfanylmethyl)-2,3-dihydropyridin-3-amine
PubChem CID163825926
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC NameN-(methylsulfanylmethyl)-2,3-dihydropyridin-3-amine
SMILESCSCNC1C=CC=NC1
InChIInChI=1S/C7H12N2S/c1-10-6-9-7-3-2-4-8-5-7/h2-4,7,9H,5-6H2,1H3
InChIKeyNZMMDVSZHKTASL-UHFFFAOYSA-N
XLogP0.91
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(methylsulfanylmethyl)-2,3-dihydropyridin-3-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 N-(methylsulfanylmethyl)-2,3-dihydropyridin-3-amine?
The IUPAC name of N-(methylsulfanylmethyl)-2,3-dihydropyridin-3-amine (CID 163825926) is N-(methylsulfanylmethyl)-2,3-dihydropyridin-3-amine.
What is the SMILES notation for N-(methylsulfanylmethyl)-2,3-dihydropyridin-3-amine?
The canonical SMILES for N-(methylsulfanylmethyl)-2,3-dihydropyridin-3-amine is CSCNC1C=CC=NC1.
What is the InChIKey of N-(methylsulfanylmethyl)-2,3-dihydropyridin-3-amine?
The InChIKey is NZMMDVSZHKTASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-10-6-9-7-3-2-4-8-5-7/h2-4,7,9H,5-6H2,1H3.
What are the key properties of N-(methylsulfanylmethyl)-2,3-dihydropyridin-3-amine?
N-(methylsulfanylmethyl)-2,3-dihydropyridin-3-amine has a molecular weight of 156.25 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylsulfanylmethyl)-2,3-dihydropyridin-3-amine is sourced from PubChem (CID 163825926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).