[4-(3-methylphenyl)thiolan-3-yl]methanamine

C12H17NS — CID 84779915

IUPAC[4-(3-methylphenyl)thiolan-3-yl]methanamine
SMILESCc1cccc(C2CSCC2CN)c1
InChIInChI=1S/C12H17NS/c1-9-3-2-4-10(5-9)12-8-14-7-11(12)6-13/h2-5,11-12H,6-8,13H2,1H3
InChIKeyYVQPTENZEVPWBR-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.40
Rot. Bonds2

About [4-(3-methylphenyl)thiolan-3-yl]methanamine

[4-(3-methylphenyl)thiolan-3-yl]methanamine (PubChem CID 84779915) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is [4-(3-methylphenyl)thiolan-3-yl]methanamine.

Molecular Properties

Compound Name[4-(3-methylphenyl)thiolan-3-yl]methanamine
PubChem CID84779915
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name[4-(3-methylphenyl)thiolan-3-yl]methanamine
SMILESCc1cccc(C2CSCC2CN)c1
InChIInChI=1S/C12H17NS/c1-9-3-2-4-10(5-9)12-8-14-7-11(12)6-13/h2-5,11-12H,6-8,13H2,1H3
InChIKeyYVQPTENZEVPWBR-UHFFFAOYSA-N
XLogP2.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(3-methylphenyl)thiolan-3-yl]methanamine 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-(1R,2S)-2-(3-methylphenyl)cyclopropan-1-amine;hydrochloride
CID 170914369
[3-(4-methylphenyl)thian-4-yl]methanamine
CID 84788263
2-[2-(3-methylphenyl)cycloheptyl]acetonitrile
CID 82242576
[(3S,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol
CID 25220548
[(3R,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol
CID 98006633
3-(3-methylphenyl)oxan-4-amine
CID 84772069
(1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethanamine
CID 28912202
4-(3-methylphenyl)-3-(2-methylpropyl)piperidine
CID 79320999
N-[[2-(3-methylphenyl)cycloheptyl]methyl]cyclopropanamine
CID 81025221
[4-(2-methylphenyl)thian-3-yl]methanamine
CID 84788259
[(1R,2R)-2-(3,5-dimethylphenyl)cyclopropyl]methanamine
CID 94558188
1-methyl-3-[(1S,2R)-2-methylcyclopentyl]benzene
CID 58641993

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenyl)thiolan-3-yl]methanamine?
The IUPAC name of [4-(3-methylphenyl)thiolan-3-yl]methanamine (CID 84779915) is [4-(3-methylphenyl)thiolan-3-yl]methanamine.
What is the SMILES notation for [4-(3-methylphenyl)thiolan-3-yl]methanamine?
The canonical SMILES for [4-(3-methylphenyl)thiolan-3-yl]methanamine is Cc1cccc(C2CSCC2CN)c1.
What is the InChIKey of [4-(3-methylphenyl)thiolan-3-yl]methanamine?
The InChIKey is YVQPTENZEVPWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-9-3-2-4-10(5-9)12-8-14-7-11(12)6-13/h2-5,11-12H,6-8,13H2,1H3.
What are the key properties of [4-(3-methylphenyl)thiolan-3-yl]methanamine?
[4-(3-methylphenyl)thiolan-3-yl]methanamine has a molecular weight of 207.34 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenyl)thiolan-3-yl]methanamine is sourced from PubChem (CID 84779915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).