2-(3-chlorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine

C15H22ClNS — CID 64736766

IUPAC2-(3-chlorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1Sc1cccc(Cl)c1
InChIInChI=1S/C15H22ClNS/c1-10-7-11(2)15(14(8-10)17-3)18-13-6-4-5-12(16)9-13/h4-6,9-11,14-15,17H,7-8H2,1-3H3
InChIKeyJYLWZDZJAKCGKN-UHFFFAOYSA-N
MW283.87 g/mol
LogP4.45
Rot. Bonds3

About 2-(3-chlorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine

2-(3-chlorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine (PubChem CID 64736766) has the molecular formula C15H22ClNS and a molecular weight of 283.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine
PubChem CID64736766
Molecular FormulaC15H22ClNS
Molecular Weight283.87 g/mol
Exact Mass283.12
IUPAC Name2-(3-chlorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1Sc1cccc(Cl)c1
InChIInChI=1S/C15H22ClNS/c1-10-7-11(2)15(14(8-10)17-3)18-13-6-4-5-12(16)9-13/h4-6,9-11,14-15,17H,7-8H2,1-3H3
InChIKeyJYLWZDZJAKCGKN-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.87
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine (CID 64736766) is 2-(3-chlorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine is CNC1CC(C)CC(C)C1Sc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine?
The InChIKey is JYLWZDZJAKCGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNS/c1-10-7-11(2)15(14(8-10)17-3)18-13-6-4-5-12(16)9-13/h4-6,9-11,14-15,17H,7-8H2,1-3H3.
What are the key properties of 2-(3-chlorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine?
2-(3-chlorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine has a molecular weight of 283.87 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfanyl-N,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64736766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).