2-(2-chlorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine

C15H22ClNS — CID 64622055

IUPAC2-(2-chlorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(Sc2ccccc2Cl)C1
InChIInChI=1S/C15H22ClNS/c1-10(2)11-7-8-13(17)15(9-11)18-14-6-4-3-5-12(14)16/h3-6,10-11,13,15H,7-9,17H2,1-2H3
InChIKeyNITWGWOBYDJGGT-UHFFFAOYSA-N
MW283.87 g/mol
LogP4.58
Rot. Bonds3

About 2-(2-chlorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine

2-(2-chlorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 64622055) has the molecular formula C15H22ClNS and a molecular weight of 283.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID64622055
Molecular FormulaC15H22ClNS
Molecular Weight283.87 g/mol
Exact Mass283.12
IUPAC Name2-(2-chlorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(Sc2ccccc2Cl)C1
InChIInChI=1S/C15H22ClNS/c1-10(2)11-7-8-13(17)15(9-11)18-14-6-4-3-5-12(14)16/h3-6,10-11,13,15H,7-9,17H2,1-2H3
InChIKeyNITWGWOBYDJGGT-UHFFFAOYSA-N
XLogP4.58
TPSA26.02 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 ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine (CID 64622055) is 2-(2-chlorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)C(Sc2ccccc2Cl)C1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is NITWGWOBYDJGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNS/c1-10(2)11-7-8-13(17)15(9-11)18-14-6-4-3-5-12(14)16/h3-6,10-11,13,15H,7-9,17H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine?
2-(2-chlorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 283.87 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 64622055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).