N-methyl-3-(2-methylphenyl)sulfanylcyclohexan-1-amine

C14H21NS — CID 64718248

IUPACN-methyl-3-(2-methylphenyl)sulfanylcyclohexan-1-amine
SMILESCNC1CCCC(Sc2ccccc2C)C1
InChIInChI=1S/C14H21NS/c1-11-6-3-4-9-14(11)16-13-8-5-7-12(10-13)15-2/h3-4,6,9,12-13,15H,5,7-8,10H2,1-2H3
InChIKeyCAQOBTVNXYCNJO-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.62
Rot. Bonds3

About N-methyl-3-(2-methylphenyl)sulfanylcyclohexan-1-amine

N-methyl-3-(2-methylphenyl)sulfanylcyclohexan-1-amine (PubChem CID 64718248) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is N-methyl-3-(2-methylphenyl)sulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2-methylphenyl)sulfanylcyclohexan-1-amine
PubChem CID64718248
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC NameN-methyl-3-(2-methylphenyl)sulfanylcyclohexan-1-amine
SMILESCNC1CCCC(Sc2ccccc2C)C1
InChIInChI=1S/C14H21NS/c1-11-6-3-4-9-14(11)16-13-8-5-7-12(10-13)15-2/h3-4,6,9,12-13,15H,5,7-8,10H2,1-2H3
InChIKeyCAQOBTVNXYCNJO-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-3-(2-methylphenyl)sulfanylcyclohexan-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

N-methyl-3-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine
CID 64722213
3-(2,4-difluorophenyl)sulfanyl-N-methylcyclohexan-1-amine
CID 64717998
3-(2,5-dichlorophenyl)sulfanyl-N-methylcyclohexan-1-amine
CID 64716531
3-(2,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64716737
2-methyl-6-(3-methylcyclohexyl)sulfanylaniline
CID 79147333
3-(2-nitrophenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64717794
N-[(2,6-dimethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103908817
2-cyclobutylsulfanylbenzaldehyde
CID 84664309
N-methyl-1-(3-methylcyclohexyl)-2-(2-methylphenyl)sulfanylethanamine
CID 66098636
2-(2-methylphenyl)sulfanyl-N-propylcyclopentan-1-amine
CID 64649672
2-cyclopentylsulfanyl-N-[(2-methylphenyl)methyl]aniline
CID 43737712
(1R)-1-[2-(3-methylcyclohexyl)sulfanylphenyl]ethanol
CID 78951607

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylphenyl)sulfanylcyclohexan-1-amine?
The IUPAC name of N-methyl-3-(2-methylphenyl)sulfanylcyclohexan-1-amine (CID 64718248) is N-methyl-3-(2-methylphenyl)sulfanylcyclohexan-1-amine.
What is the SMILES notation for N-methyl-3-(2-methylphenyl)sulfanylcyclohexan-1-amine?
The canonical SMILES for N-methyl-3-(2-methylphenyl)sulfanylcyclohexan-1-amine is CNC1CCCC(Sc2ccccc2C)C1.
What is the InChIKey of N-methyl-3-(2-methylphenyl)sulfanylcyclohexan-1-amine?
The InChIKey is CAQOBTVNXYCNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-11-6-3-4-9-14(11)16-13-8-5-7-12(10-13)15-2/h3-4,6,9,12-13,15H,5,7-8,10H2,1-2H3.
What are the key properties of N-methyl-3-(2-methylphenyl)sulfanylcyclohexan-1-amine?
N-methyl-3-(2-methylphenyl)sulfanylcyclohexan-1-amine has a molecular weight of 235.40 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylphenyl)sulfanylcyclohexan-1-amine is sourced from PubChem (CID 64718248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).