3-(4-chlorophenyl)sulfanyl-2-methylcyclopentan-1-amine

C12H16ClNS — CID 64906333

IUPAC3-(4-chlorophenyl)sulfanyl-2-methylcyclopentan-1-amine
SMILESCC1C(N)CCC1Sc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNS/c1-8-11(14)6-7-12(8)15-10-4-2-9(13)3-5-10/h2-5,8,11-12H,6-7,14H2,1H3
InChIKeyHBAYVHJPMYALBB-UHFFFAOYSA-N
MW241.79 g/mol
LogP3.56
Rot. Bonds2

About 3-(4-chlorophenyl)sulfanyl-2-methylcyclopentan-1-amine

3-(4-chlorophenyl)sulfanyl-2-methylcyclopentan-1-amine (PubChem CID 64906333) has the molecular formula C12H16ClNS and a molecular weight of 241.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-2-methylcyclopentan-1-amine
PubChem CID64906333
Molecular FormulaC12H16ClNS
Molecular Weight241.79 g/mol
Exact Mass241.07
IUPAC Name3-(4-chlorophenyl)sulfanyl-2-methylcyclopentan-1-amine
SMILESCC1C(N)CCC1Sc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNS/c1-8-11(14)6-7-12(8)15-10-4-2-9(13)3-5-10/h2-5,8,11-12H,6-7,14H2,1H3
InChIKeyHBAYVHJPMYALBB-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.79
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-2-methylcyclopentan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-2-methylcyclopentan-1-amine (CID 64906333) is 3-(4-chlorophenyl)sulfanyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-2-methylcyclopentan-1-amine is CC1C(N)CCC1Sc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-2-methylcyclopentan-1-amine?
The InChIKey is HBAYVHJPMYALBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNS/c1-8-11(14)6-7-12(8)15-10-4-2-9(13)3-5-10/h2-5,8,11-12H,6-7,14H2,1H3.
What are the key properties of 3-(4-chlorophenyl)sulfanyl-2-methylcyclopentan-1-amine?
3-(4-chlorophenyl)sulfanyl-2-methylcyclopentan-1-amine has a molecular weight of 241.79 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64906333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).