4-(4-chlorophenyl)sulfanylcyclohexan-1-amine;hydrochloride

C12H17Cl2NS — CID 71755883

IUPAC4-(4-chlorophenyl)sulfanylcyclohexan-1-amine;hydrochloride
SMILESCl.NC1CCC(Sc2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H16ClNS.ClH/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;/h1-2,5-6,10,12H,3-4,7-8,14H2;1H
InChIKeyQJHRVJCROCJMGA-UHFFFAOYSA-N
MW278.25 g/mol
LogP4.12
Rot. Bonds2

About 4-(4-chlorophenyl)sulfanylcyclohexan-1-amine;hydrochloride

4-(4-chlorophenyl)sulfanylcyclohexan-1-amine;hydrochloride (PubChem CID 71755883) has the molecular formula C12H17Cl2NS and a molecular weight of 278.25 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanylcyclohexan-1-amine;hydrochloride
PubChem CID71755883
Molecular FormulaC12H17Cl2NS
Molecular Weight278.25 g/mol
Exact Mass277.05
IUPAC Name4-(4-chlorophenyl)sulfanylcyclohexan-1-amine;hydrochloride
SMILESCl.NC1CCC(Sc2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H16ClNS.ClH/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;/h1-2,5-6,10,12H,3-4,7-8,14H2;1H
InChIKeyQJHRVJCROCJMGA-UHFFFAOYSA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanylcyclohexan-1-amine;hydrochloride?
The IUPAC name of 4-(4-chlorophenyl)sulfanylcyclohexan-1-amine;hydrochloride (CID 71755883) is 4-(4-chlorophenyl)sulfanylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for 4-(4-chlorophenyl)sulfanylcyclohexan-1-amine;hydrochloride is Cl.NC1CCC(Sc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanylcyclohexan-1-amine;hydrochloride?
The InChIKey is QJHRVJCROCJMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNS.ClH/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;/h1-2,5-6,10,12H,3-4,7-8,14H2;1H.
What are the key properties of 4-(4-chlorophenyl)sulfanylcyclohexan-1-amine;hydrochloride?
4-(4-chlorophenyl)sulfanylcyclohexan-1-amine;hydrochloride has a molecular weight of 278.25 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 71755883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).