2-[2-[(2-chlorophenyl)methylsulfonyl]ethyl]-N-ethylcyclopentan-1-amine

C16H24ClNO2S — CID 103290168

IUPAC2-[2-[(2-chlorophenyl)methylsulfonyl]ethyl]-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1CCS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C16H24ClNO2S/c1-2-18-16-9-5-7-13(16)10-11-21(19,20)12-14-6-3-4-8-15(14)17/h3-4,6,8,13,16,18H,2,5,7,9-12H2,1H3
InChIKeyRBEVNFQHBHQNGR-UHFFFAOYSA-N
MW329.89 g/mol
LogP3.42
Rot. Bonds7

About 2-[2-[(2-chlorophenyl)methylsulfonyl]ethyl]-N-ethylcyclopentan-1-amine

2-[2-[(2-chlorophenyl)methylsulfonyl]ethyl]-N-ethylcyclopentan-1-amine (PubChem CID 103290168) has the molecular formula C16H24ClNO2S and a molecular weight of 329.89 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenyl)methylsulfonyl]ethyl]-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-[(2-chlorophenyl)methylsulfonyl]ethyl]-N-ethylcyclopentan-1-amine
PubChem CID103290168
Molecular FormulaC16H24ClNO2S
Molecular Weight329.89 g/mol
Exact Mass329.12
IUPAC Name2-[2-[(2-chlorophenyl)methylsulfonyl]ethyl]-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1CCS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C16H24ClNO2S/c1-2-18-16-9-5-7-13(16)10-11-21(19,20)12-14-6-3-4-8-15(14)17/h3-4,6,8,13,16,18H,2,5,7,9-12H2,1H3
InChIKeyRBEVNFQHBHQNGR-UHFFFAOYSA-N
XLogP3.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.89
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-N-ethylcyclopentan-1-amine
CID 103291093
2-[2-(2-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine
CID 79587196
N-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]cyclopentan-1-amine
CID 79581109
2-[2-(cyclopentylmethylsulfonyl)ethyl]-N-ethylcyclopentan-1-amine
CID 79581739
2-(2-benzylsulfonylethyl)-N-methylcyclopentan-1-amine
CID 79581110
N-ethyl-2-[2-(3-methylbutylsulfonyl)ethyl]cyclopentan-1-amine
CID 107760245
2-[2-[(2-methylphenyl)methylsulfonyl]ethyl]cyclopentan-1-amine
CID 79581814
2-[2-(4-bromophenyl)sulfonylethyl]-N-ethylcyclopentan-1-amine
CID 79581114
N-ethyl-2-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 61381447
2-(2-cyclohexylsulfonylethyl)-N-ethylcyclopentan-1-amine
CID 79582120
2-[(2,5-dichlorophenyl)methyl]-N-ethylcyclopentan-1-amine
CID 65318436
1-chloro-2-(2-chloroethylsulfonylmethyl)benzene
CID 103288106

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenyl)methylsulfonyl]ethyl]-N-ethylcyclopentan-1-amine?
The IUPAC name of 2-[2-[(2-chlorophenyl)methylsulfonyl]ethyl]-N-ethylcyclopentan-1-amine (CID 103290168) is 2-[2-[(2-chlorophenyl)methylsulfonyl]ethyl]-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 2-[2-[(2-chlorophenyl)methylsulfonyl]ethyl]-N-ethylcyclopentan-1-amine?
The canonical SMILES for 2-[2-[(2-chlorophenyl)methylsulfonyl]ethyl]-N-ethylcyclopentan-1-amine is CCNC1CCCC1CCS(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-[2-[(2-chlorophenyl)methylsulfonyl]ethyl]-N-ethylcyclopentan-1-amine?
The InChIKey is RBEVNFQHBHQNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2S/c1-2-18-16-9-5-7-13(16)10-11-21(19,20)12-14-6-3-4-8-15(14)17/h3-4,6,8,13,16,18H,2,5,7,9-12H2,1H3.
What are the key properties of 2-[2-[(2-chlorophenyl)methylsulfonyl]ethyl]-N-ethylcyclopentan-1-amine?
2-[2-[(2-chlorophenyl)methylsulfonyl]ethyl]-N-ethylcyclopentan-1-amine has a molecular weight of 329.89 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenyl)methylsulfonyl]ethyl]-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 103290168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).