2-(4-chlorophenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine

C14H20ClNS — CID 64620940

IUPAC2-(4-chlorophenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine
SMILESCC1(C)CCC(N)C(Sc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClNS/c1-14(2)8-7-12(16)13(9-14)17-11-5-3-10(15)4-6-11/h3-6,12-13H,7-9,16H2,1-2H3
InChIKeyWUXYMUCQTYKRSW-UHFFFAOYSA-N
MW269.84 g/mol
LogP4.34
Rot. Bonds2

About 2-(4-chlorophenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine

2-(4-chlorophenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine (PubChem CID 64620940) has the molecular formula C14H20ClNS and a molecular weight of 269.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine
PubChem CID64620940
Molecular FormulaC14H20ClNS
Molecular Weight269.84 g/mol
Exact Mass269.10
IUPAC Name2-(4-chlorophenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine
SMILESCC1(C)CCC(N)C(Sc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClNS/c1-14(2)8-7-12(16)13(9-14)17-11-5-3-10(15)4-6-11/h3-6,12-13H,7-9,16H2,1-2H3
InChIKeyWUXYMUCQTYKRSW-UHFFFAOYSA-N
XLogP4.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine (CID 64620940) is 2-(4-chlorophenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine is CC1(C)CCC(N)C(Sc2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine?
The InChIKey is WUXYMUCQTYKRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNS/c1-14(2)8-7-12(16)13(9-14)17-11-5-3-10(15)4-6-11/h3-6,12-13H,7-9,16H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine?
2-(4-chlorophenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine has a molecular weight of 269.84 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64620940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).