5-[(2-chlorophenyl)methylsulfanyl]-N,2,2-trimethylcyclopentan-1-amine

C15H22ClNS — CID 103290988

IUPAC5-[(2-chlorophenyl)methylsulfanyl]-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(SCc2ccccc2Cl)CCC1(C)C
InChIInChI=1S/C15H22ClNS/c1-15(2)9-8-13(14(15)17-3)18-10-11-6-4-5-7-12(11)16/h4-7,13-14,17H,8-10H2,1-3H3
InChIKeyPUMWSNNVQCRGDW-UHFFFAOYSA-N
MW283.87 g/mol
LogP4.35
Rot. Bonds4

About 5-[(2-chlorophenyl)methylsulfanyl]-N,2,2-trimethylcyclopentan-1-amine

5-[(2-chlorophenyl)methylsulfanyl]-N,2,2-trimethylcyclopentan-1-amine (PubChem CID 103290988) has the molecular formula C15H22ClNS and a molecular weight of 283.87 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylsulfanyl]-N,2,2-trimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylsulfanyl]-N,2,2-trimethylcyclopentan-1-amine
PubChem CID103290988
Molecular FormulaC15H22ClNS
Molecular Weight283.87 g/mol
Exact Mass283.12
IUPAC Name5-[(2-chlorophenyl)methylsulfanyl]-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(SCc2ccccc2Cl)CCC1(C)C
InChIInChI=1S/C15H22ClNS/c1-15(2)9-8-13(14(15)17-3)18-10-11-6-4-5-7-12(11)16/h4-7,13-14,17H,8-10H2,1-3H3
InChIKeyPUMWSNNVQCRGDW-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.87
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-amine
CID 79863622
6-(furan-2-ylmethylsulfanyl)-N,2,2-trimethylcyclohexan-1-amine
CID 79847075
2-[(2-chlorophenyl)methylsulfanyl]-4-methylcyclohexan-1-amine
CID 103291100
2,2-dimethyl-6-[(2-methylphenyl)methylsulfanyl]-N-propylcyclohexan-1-amine
CID 79841962
3-[(2-chlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 116538974
N,2,2-trimethyl-5-(4-methylphenyl)sulfanylcyclopentan-1-amine
CID 79862254
ethyl 1-amino-3-[(2-chlorophenyl)methylsulfanyl]cyclopentane-1-carboxylate
CID 103289711
(2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpropanamide
CID 95579036
2-[(2-chlorophenyl)methylsulfanyl]cyclopentan-1-one
CID 103289096
1-[[(2-chlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65115350
1-chloro-2-(methylsulfanylmethyl)benzene;ethane
CID 162765163
2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-1,3-diazinan-4-one
CID 78175937

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylsulfanyl]-N,2,2-trimethylcyclopentan-1-amine?
The IUPAC name of 5-[(2-chlorophenyl)methylsulfanyl]-N,2,2-trimethylcyclopentan-1-amine (CID 103290988) is 5-[(2-chlorophenyl)methylsulfanyl]-N,2,2-trimethylcyclopentan-1-amine.
What is the SMILES notation for 5-[(2-chlorophenyl)methylsulfanyl]-N,2,2-trimethylcyclopentan-1-amine?
The canonical SMILES for 5-[(2-chlorophenyl)methylsulfanyl]-N,2,2-trimethylcyclopentan-1-amine is CNC1C(SCc2ccccc2Cl)CCC1(C)C.
What is the InChIKey of 5-[(2-chlorophenyl)methylsulfanyl]-N,2,2-trimethylcyclopentan-1-amine?
The InChIKey is PUMWSNNVQCRGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNS/c1-15(2)9-8-13(14(15)17-3)18-10-11-6-4-5-7-12(11)16/h4-7,13-14,17H,8-10H2,1-3H3.
What are the key properties of 5-[(2-chlorophenyl)methylsulfanyl]-N,2,2-trimethylcyclopentan-1-amine?
5-[(2-chlorophenyl)methylsulfanyl]-N,2,2-trimethylcyclopentan-1-amine has a molecular weight of 283.87 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methylsulfanyl]-N,2,2-trimethylcyclopentan-1-amine is sourced from PubChem (CID 103290988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).