2-methyl-N-(1-pyridin-3-ylethyl)thiolan-3-amine

C12H18N2S — CID 102671440

IUPAC2-methyl-N-(1-pyridin-3-ylethyl)thiolan-3-amine
SMILESCC(NC1CCSC1C)c1cccnc1
InChIInChI=1S/C12H18N2S/c1-9(11-4-3-6-13-8-11)14-12-5-7-15-10(12)2/h3-4,6,8-10,12,14H,5,7H2,1-2H3
InChIKeyFLOHXEFYYLMWID-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.63
Rot. Bonds3

About 2-methyl-N-(1-pyridin-3-ylethyl)thiolan-3-amine

2-methyl-N-(1-pyridin-3-ylethyl)thiolan-3-amine (PubChem CID 102671440) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 2-methyl-N-(1-pyridin-3-ylethyl)thiolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(1-pyridin-3-ylethyl)thiolan-3-amine
PubChem CID102671440
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name2-methyl-N-(1-pyridin-3-ylethyl)thiolan-3-amine
SMILESCC(NC1CCSC1C)c1cccnc1
InChIInChI=1S/C12H18N2S/c1-9(11-4-3-6-13-8-11)14-12-5-7-15-10(12)2/h3-4,6,8-10,12,14H,5,7H2,1-2H3
InChIKeyFLOHXEFYYLMWID-UHFFFAOYSA-N
XLogP2.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-(1-pyridin-3-ylethyl)thiolan-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

Related Compounds

trans-(1S,2S)-2-(1-pyridin-3-ylethylamino)cyclopentan-1-ol
CID 102733105
2-[[(1S)-1-pyridin-3-ylethyl]amino]cyclohexan-1-ol
CID 81404938
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
2,5-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]cyclohexan-1-amine
CID 81406468
2-methyl-N-[(1R)-1-phenylethyl]thian-3-amine
CID 81351780
N-(1-pyridin-3-ylethyl)cyclododecanamine
CID 43079395
N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
CID 28646604
2-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine
CID 81407298
2-ethyl-N-[(1R)-1-pyridin-3-ylethyl]cyclopentan-1-amine
CID 104865522
(1R)-N-[(3-methylcyclohexyl)methyl]-1-pyridin-3-ylethanamine
CID 81404492
N-[(1R)-1-pyridin-3-ylethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364766
1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone
CID 78950814

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-pyridin-3-ylethyl)thiolan-3-amine?
The IUPAC name of 2-methyl-N-(1-pyridin-3-ylethyl)thiolan-3-amine (CID 102671440) is 2-methyl-N-(1-pyridin-3-ylethyl)thiolan-3-amine.
What is the SMILES notation for 2-methyl-N-(1-pyridin-3-ylethyl)thiolan-3-amine?
The canonical SMILES for 2-methyl-N-(1-pyridin-3-ylethyl)thiolan-3-amine is CC(NC1CCSC1C)c1cccnc1.
What is the InChIKey of 2-methyl-N-(1-pyridin-3-ylethyl)thiolan-3-amine?
The InChIKey is FLOHXEFYYLMWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-9(11-4-3-6-13-8-11)14-12-5-7-15-10(12)2/h3-4,6,8-10,12,14H,5,7H2,1-2H3.
What are the key properties of 2-methyl-N-(1-pyridin-3-ylethyl)thiolan-3-amine?
2-methyl-N-(1-pyridin-3-ylethyl)thiolan-3-amine has a molecular weight of 222.36 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-pyridin-3-ylethyl)thiolan-3-amine is sourced from PubChem (CID 102671440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).