2-methyl-3-(2-pyridin-2-ylethylsulfanyl)propan-1-amine

C11H18N2S — CID 66225834

IUPAC2-methyl-3-(2-pyridin-2-ylethylsulfanyl)propan-1-amine
SMILESCC(CN)CSCCc1ccccn1
InChIInChI=1S/C11H18N2S/c1-10(8-12)9-14-7-5-11-4-2-3-6-13-11/h2-4,6,10H,5,7-9,12H2,1H3
InChIKeyNIDFGCWADQVIJA-UHFFFAOYSA-N
MW210.35 g/mol
LogP1.95
Rot. Bonds6

About 2-methyl-3-(2-pyridin-2-ylethylsulfanyl)propan-1-amine

2-methyl-3-(2-pyridin-2-ylethylsulfanyl)propan-1-amine (PubChem CID 66225834) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 2-methyl-3-(2-pyridin-2-ylethylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(2-pyridin-2-ylethylsulfanyl)propan-1-amine
PubChem CID66225834
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name2-methyl-3-(2-pyridin-2-ylethylsulfanyl)propan-1-amine
SMILESCC(CN)CSCCc1ccccn1
InChIInChI=1S/C11H18N2S/c1-10(8-12)9-14-7-5-11-4-2-3-6-13-11/h2-4,6,10H,5,7-9,12H2,1H3
InChIKeyNIDFGCWADQVIJA-UHFFFAOYSA-N
XLogP1.95
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-3-(2-pyridin-2-ylethylsulfanyl)propan-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

Related Compounds

3-(2-pyridin-2-ylethylsulfanyl)propane-1,2-diol
CID 79682874
2-[2-(2,2-dimethylpropylsulfanyl)ethyl]pyridine
CID 58756663
(2S)-2-azaniumyl-3-(2-pyridin-2-ylethylsulfanyl)propanoate
CID 6993376
2-(2-hexylsulfanylethyl)pyridine
CID 95562090
2-(2-fluoroethyl)pyridine
CID 23246235
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
2-(2-pyridin-2-ylethylsulfanyl)aniline
CID 12029846
2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]pyridine
CID 2172820
1-[3-(2-pyridin-2-ylethylsulfanyl)propoxy]propan-2-ol
CID 175519037
5-methyl-3-(2-pyridin-2-ylethylsulfanylmethyl)-1,2-oxazole
CID 78860958
ethane;pyridin-2-ylmethanamine
CID 90791011
3-[(4-chloro-2-pyridinyl)methylsulfanyl]-2-methylpropan-1-amine
CID 79254897

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-pyridin-2-ylethylsulfanyl)propan-1-amine?
The IUPAC name of 2-methyl-3-(2-pyridin-2-ylethylsulfanyl)propan-1-amine (CID 66225834) is 2-methyl-3-(2-pyridin-2-ylethylsulfanyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(2-pyridin-2-ylethylsulfanyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(2-pyridin-2-ylethylsulfanyl)propan-1-amine is CC(CN)CSCCc1ccccn1.
What is the InChIKey of 2-methyl-3-(2-pyridin-2-ylethylsulfanyl)propan-1-amine?
The InChIKey is NIDFGCWADQVIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-10(8-12)9-14-7-5-11-4-2-3-6-13-11/h2-4,6,10H,5,7-9,12H2,1H3.
What are the key properties of 2-methyl-3-(2-pyridin-2-ylethylsulfanyl)propan-1-amine?
2-methyl-3-(2-pyridin-2-ylethylsulfanyl)propan-1-amine has a molecular weight of 210.35 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-pyridin-2-ylethylsulfanyl)propan-1-amine is sourced from PubChem (CID 66225834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).