3-(3-methylphenyl)sulfanylcyclohexan-1-amine

C13H19NS — CID 64723633

IUPAC3-(3-methylphenyl)sulfanylcyclohexan-1-amine
SMILESCc1cccc(SC2CCCC(N)C2)c1
InChIInChI=1S/C13H19NS/c1-10-4-2-6-12(8-10)15-13-7-3-5-11(14)9-13/h2,4,6,8,11,13H,3,5,7,9,14H2,1H3
InChIKeySKMWVQIWDJXPJJ-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.36
Rot. Bonds2

About 3-(3-methylphenyl)sulfanylcyclohexan-1-amine

3-(3-methylphenyl)sulfanylcyclohexan-1-amine (PubChem CID 64723633) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 3-(3-methylphenyl)sulfanylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(3-methylphenyl)sulfanylcyclohexan-1-amine
PubChem CID64723633
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name3-(3-methylphenyl)sulfanylcyclohexan-1-amine
SMILESCc1cccc(SC2CCCC(N)C2)c1
InChIInChI=1S/C13H19NS/c1-10-4-2-6-12(8-10)15-13-7-3-5-11(14)9-13/h2,4,6,8,11,13H,3,5,7,9,14H2,1H3
InChIKeySKMWVQIWDJXPJJ-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)sulfanylcyclohexan-1-amine?
The IUPAC name of 3-(3-methylphenyl)sulfanylcyclohexan-1-amine (CID 64723633) is 3-(3-methylphenyl)sulfanylcyclohexan-1-amine.
What is the SMILES notation for 3-(3-methylphenyl)sulfanylcyclohexan-1-amine?
The canonical SMILES for 3-(3-methylphenyl)sulfanylcyclohexan-1-amine is Cc1cccc(SC2CCCC(N)C2)c1.
What is the InChIKey of 3-(3-methylphenyl)sulfanylcyclohexan-1-amine?
The InChIKey is SKMWVQIWDJXPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-10-4-2-6-12(8-10)15-13-7-3-5-11(14)9-13/h2,4,6,8,11,13H,3,5,7,9,14H2,1H3.
What are the key properties of 3-(3-methylphenyl)sulfanylcyclohexan-1-amine?
3-(3-methylphenyl)sulfanylcyclohexan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)sulfanylcyclohexan-1-amine is sourced from PubChem (CID 64723633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).