5-(3-chlorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine

C13H18ClNS — CID 79863189

IUPAC5-(3-chlorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(Sc2cccc(Cl)c2)C1N
InChIInChI=1S/C13H18ClNS/c1-13(2)7-6-11(12(13)15)16-10-5-3-4-9(14)8-10/h3-5,8,11-12H,6-7,15H2,1-2H3
InChIKeyNHQSEPROLBSMRJ-UHFFFAOYSA-N
MW255.81 g/mol
LogP3.95
Rot. Bonds2

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

5-(3-chlorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine (PubChem CID 79863189) has the molecular formula C13H18ClNS and a molecular weight of 255.81 g/mol. Its IUPAC name is 5-(3-chlorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine
PubChem CID79863189
Molecular FormulaC13H18ClNS
Molecular Weight255.81 g/mol
Exact Mass255.08
IUPAC Name5-(3-chlorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(Sc2cccc(Cl)c2)C1N
InChIInChI=1S/C13H18ClNS/c1-13(2)7-6-11(12(13)15)16-10-5-3-4-9(14)8-10/h3-5,8,11-12H,6-7,15H2,1-2H3
InChIKeyNHQSEPROLBSMRJ-UHFFFAOYSA-N
XLogP3.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.81
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclopentan-1-amine
CID 79862812
5-(4-Fluorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine
CID 79862858
5-(3-Chloro-4-fluorophenyl)sulfonyl-2,2-dimethylcyclopentan-1-amine
CID 79863018
5-(2-Fluorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine
CID 79863068
5-(3-chloro-4-fluorophenyl)sulfonyl-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79866194
5-(3-Fluorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine
CID 80059328
2-(3-Chloro-4-fluorophenyl)sulfinyl-1-cyclopentylethanamine
CID 104754848
3-(3-Chloro-4-fluorophenyl)sulfinyl-2-methylcyclopentan-1-amine
CID 113318108
2-[2-(3-Chloro-4-fluorophenyl)sulfinylethyl]cyclopentan-1-amine
CID 113318109
5-(3-Chloro-4-fluorophenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine
CID 115477293
5-(3-chloro-4-fluorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 115477314
5-(3-chloro-4-fluorophenyl)sulfinyl-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 115477315

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of 5-(3-chlorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine (CID 79863189) is 5-(3-chlorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 5-(3-chlorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 5-(3-chlorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine is CC1(C)CCC(Sc2cccc(Cl)c2)C1N.
What is the InChIKey of 5-(3-chlorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine?
The InChIKey is NHQSEPROLBSMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNS/c1-13(2)7-6-11(12(13)15)16-10-5-3-4-9(14)8-10/h3-5,8,11-12H,6-7,15H2,1-2H3.
What are the key properties of 5-(3-chlorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine?
5-(3-chlorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine has a molecular weight of 255.81 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)sulfanyl-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79863189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).