3-(1,4-dihydropyridin-2-ylmethylsulfanyl)prop-1-en-2-amine

C9H14N2S — CID 70434037

IUPAC3-(1,4-dihydropyridin-2-ylmethylsulfanyl)prop-1-en-2-amine
SMILESC=C(N)CSCC1=CCC=CN1
InChIInChI=1S/C9H14N2S/c1-8(10)6-12-7-9-4-2-3-5-11-9/h3-5,11H,1-2,6-7,10H2
InChIKeyJJXSIUOSLQJTCA-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.58
Rot. Bonds4

About 3-(1,4-dihydropyridin-2-ylmethylsulfanyl)prop-1-en-2-amine

3-(1,4-dihydropyridin-2-ylmethylsulfanyl)prop-1-en-2-amine (PubChem CID 70434037) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 3-(1,4-dihydropyridin-2-ylmethylsulfanyl)prop-1-en-2-amine.

Molecular Properties

Compound Name3-(1,4-dihydropyridin-2-ylmethylsulfanyl)prop-1-en-2-amine
PubChem CID70434037
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name3-(1,4-dihydropyridin-2-ylmethylsulfanyl)prop-1-en-2-amine
SMILESC=C(N)CSCC1=CCC=CN1
InChIInChI=1S/C9H14N2S/c1-8(10)6-12-7-9-4-2-3-5-11-9/h3-5,11H,1-2,6-7,10H2
InChIKeyJJXSIUOSLQJTCA-UHFFFAOYSA-N
XLogP1.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1,4-dihydropyridin-2-ylmethylsulfanyl)prop-1-en-2-amine 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

1,4-Dithia-7,14-diazacyclohexadeca-9,12-diene
CID 129788406
Ethyl 1,4-dihydropyridinecarbodithioate
CID 129870809
1,4-Dihydropyridin-2-ylmethanethiol
CID 19831200
1,4-Dihydropyridine-2-carbothialdehyde
CID 23165733
1,4-Dihydropyridin-2-yl(prop-2-enylsulfanyl)methanamine
CID 70046313
1-(1,4-Dihydropyridin-2-ylmethylsulfanyl)prop-2-en-1-amine
CID 70046315
3-(1,4-Dihydropyridin-2-ylmethylsulfanyl)prop-1-en-1-amine
CID 70046316
2-(Methylsulfanylmethyl)-1,4-dihydropyridine
CID 70065395
2-(1,4-Dihydropyridin-2-ylmethylsulfanyl)acetonitrile
CID 70433051
N-methyl-2-[[(2E,7Z)-1,4,5,6-tetrahydroazocin-2-yl]methylsulfanyl]ethanamine
CID 71125470
2,3,4,7-Tetrahydrothieno[3,2-b]pyridine
CID 142034850
3-methyl-2-propyl-4H-1,4-thiazine
CID 142434108

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dihydropyridin-2-ylmethylsulfanyl)prop-1-en-2-amine?
The IUPAC name of 3-(1,4-dihydropyridin-2-ylmethylsulfanyl)prop-1-en-2-amine (CID 70434037) is 3-(1,4-dihydropyridin-2-ylmethylsulfanyl)prop-1-en-2-amine.
What is the SMILES notation for 3-(1,4-dihydropyridin-2-ylmethylsulfanyl)prop-1-en-2-amine?
The canonical SMILES for 3-(1,4-dihydropyridin-2-ylmethylsulfanyl)prop-1-en-2-amine is C=C(N)CSCC1=CCC=CN1.
What is the InChIKey of 3-(1,4-dihydropyridin-2-ylmethylsulfanyl)prop-1-en-2-amine?
The InChIKey is JJXSIUOSLQJTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-8(10)6-12-7-9-4-2-3-5-11-9/h3-5,11H,1-2,6-7,10H2.
What are the key properties of 3-(1,4-dihydropyridin-2-ylmethylsulfanyl)prop-1-en-2-amine?
3-(1,4-dihydropyridin-2-ylmethylsulfanyl)prop-1-en-2-amine has a molecular weight of 182.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dihydropyridin-2-ylmethylsulfanyl)prop-1-en-2-amine is sourced from PubChem (CID 70434037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).