5-[(4-chlorophenyl)methylsulfinyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine

C16H24ClNOS — CID 114792164

IUPAC5-[(4-chlorophenyl)methylsulfinyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine
SMILESCCNC1C(S(=O)Cc2ccc(Cl)cc2)CCC1(C)C
InChIInChI=1S/C16H24ClNOS/c1-4-18-15-14(9-10-16(15,2)3)20(19)11-12-5-7-13(17)8-6-12/h5-8,14-15,18H,4,9-11H2,1-3H3
InChIKeyNYWREJWVGIPQSP-UHFFFAOYSA-N
MW313.89 g/mol
LogP3.76
Rot. Bonds5

About 5-[(4-chlorophenyl)methylsulfinyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine

5-[(4-chlorophenyl)methylsulfinyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine (PubChem CID 114792164) has the molecular formula C16H24ClNOS and a molecular weight of 313.89 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylsulfinyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylsulfinyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine
PubChem CID114792164
Molecular FormulaC16H24ClNOS
Molecular Weight313.89 g/mol
Exact Mass313.13
IUPAC Name5-[(4-chlorophenyl)methylsulfinyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine
SMILESCCNC1C(S(=O)Cc2ccc(Cl)cc2)CCC1(C)C
InChIInChI=1S/C16H24ClNOS/c1-4-18-15-14(9-10-16(15,2)3)20(19)11-12-5-7-13(17)8-6-12/h5-8,14-15,18H,4,9-11H2,1-3H3
InChIKeyNYWREJWVGIPQSP-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.89
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[(4-chlorophenyl)methylsulfinyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine with MolForge

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Related Compounds

N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-amine
CID 79863138
N-ethyl-2,2-dimethyl-5-methylsulfinylcyclopentan-1-amine
CID 79862329
3-[(4-chlorophenyl)methylsulfinyl]-N-ethyloxan-4-amine
CID 114792190
N-ethyl-2,2-dimethyl-5-(2-methylbutylsulfinyl)cyclopentan-1-amine
CID 107759913
N-ethyl-2,2-dimethyl-5-(2-methylphenyl)sulfinylcyclopentan-1-amine
CID 79862828
2-[(4-chlorophenyl)methylsulfinyl]-N-methylcyclopentan-1-amine
CID 114792156
5-butan-2-ylsulfinyl-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79863357
5-(3,4-dichlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79866348
5-(2-chlorophenyl)sulfinyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79862922
N-ethyl-2,2-dimethyl-6-(4-methylphenyl)sulfinylcyclohexan-1-amine
CID 79847405
3-[(4-chlorophenyl)methylsulfinyl]-N-propylcyclohexan-1-amine
CID 114792146
2-[(4-chlorophenyl)methylsulfinyl]-4-propan-2-ylcyclohexan-1-amine
CID 114792237

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylsulfinyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of 5-[(4-chlorophenyl)methylsulfinyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine (CID 114792164) is 5-[(4-chlorophenyl)methylsulfinyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 5-[(4-chlorophenyl)methylsulfinyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 5-[(4-chlorophenyl)methylsulfinyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine is CCNC1C(S(=O)Cc2ccc(Cl)cc2)CCC1(C)C.
What is the InChIKey of 5-[(4-chlorophenyl)methylsulfinyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine?
The InChIKey is NYWREJWVGIPQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNOS/c1-4-18-15-14(9-10-16(15,2)3)20(19)11-12-5-7-13(17)8-6-12/h5-8,14-15,18H,4,9-11H2,1-3H3.
What are the key properties of 5-[(4-chlorophenyl)methylsulfinyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine?
5-[(4-chlorophenyl)methylsulfinyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine has a molecular weight of 313.89 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methylsulfinyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 114792164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).