N-ethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine

C15H23NS — CID 64619864

IUPACN-ethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine
SMILESCCNC1CCCCC1Sc1ccc(C)cc1
InChIInChI=1S/C15H23NS/c1-3-16-14-6-4-5-7-15(14)17-13-10-8-12(2)9-11-13/h8-11,14-16H,3-7H2,1-2H3
InChIKeyHCRMBVXUKKIJCC-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.01
Rot. Bonds4

About N-ethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine

N-ethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine (PubChem CID 64619864) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-ethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine
PubChem CID64619864
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-ethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine
SMILESCCNC1CCCCC1Sc1ccc(C)cc1
InChIInChI=1S/C15H23NS/c1-3-16-14-6-4-5-7-15(14)17-13-10-8-12(2)9-11-13/h8-11,14-16H,3-7H2,1-2H3
InChIKeyHCRMBVXUKKIJCC-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine?
The IUPAC name of N-ethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine (CID 64619864) is N-ethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine is CCNC1CCCCC1Sc1ccc(C)cc1.
What is the InChIKey of N-ethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine?
The InChIKey is HCRMBVXUKKIJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-3-16-14-6-4-5-7-15(14)17-13-10-8-12(2)9-11-13/h8-11,14-16H,3-7H2,1-2H3.
What are the key properties of N-ethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine?
N-ethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine has a molecular weight of 249.42 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine is sourced from PubChem (CID 64619864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).