N-ethyl-3-(2-methylphenyl)sulfonylcyclopentan-1-amine

C14H21NO2S — CID 64723047

IUPACN-ethyl-3-(2-methylphenyl)sulfonylcyclopentan-1-amine
SMILESCCNC1CCC(S(=O)(=O)c2ccccc2C)C1
InChIInChI=1S/C14H21NO2S/c1-3-15-12-8-9-13(10-12)18(16,17)14-7-5-4-6-11(14)2/h4-7,12-13,15H,3,8-10H2,1-2H3
InChIKeyJHDRMUMPJXXFAI-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.30
Rot. Bonds4

About N-ethyl-3-(2-methylphenyl)sulfonylcyclopentan-1-amine

N-ethyl-3-(2-methylphenyl)sulfonylcyclopentan-1-amine (PubChem CID 64723047) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-ethyl-3-(2-methylphenyl)sulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-methylphenyl)sulfonylcyclopentan-1-amine
PubChem CID64723047
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-ethyl-3-(2-methylphenyl)sulfonylcyclopentan-1-amine
SMILESCCNC1CCC(S(=O)(=O)c2ccccc2C)C1
InChIInChI=1S/C14H21NO2S/c1-3-15-12-8-9-13(10-12)18(16,17)14-7-5-4-6-11(14)2/h4-7,12-13,15H,3,8-10H2,1-2H3
InChIKeyJHDRMUMPJXXFAI-UHFFFAOYSA-N
XLogP2.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methylphenyl)sulfonylcyclopentan-1-amine?
The IUPAC name of N-ethyl-3-(2-methylphenyl)sulfonylcyclopentan-1-amine (CID 64723047) is N-ethyl-3-(2-methylphenyl)sulfonylcyclopentan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-methylphenyl)sulfonylcyclopentan-1-amine?
The canonical SMILES for N-ethyl-3-(2-methylphenyl)sulfonylcyclopentan-1-amine is CCNC1CCC(S(=O)(=O)c2ccccc2C)C1.
What is the InChIKey of N-ethyl-3-(2-methylphenyl)sulfonylcyclopentan-1-amine?
The InChIKey is JHDRMUMPJXXFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-15-12-8-9-13(10-12)18(16,17)14-7-5-4-6-11(14)2/h4-7,12-13,15H,3,8-10H2,1-2H3.
What are the key properties of N-ethyl-3-(2-methylphenyl)sulfonylcyclopentan-1-amine?
N-ethyl-3-(2-methylphenyl)sulfonylcyclopentan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methylphenyl)sulfonylcyclopentan-1-amine is sourced from PubChem (CID 64723047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).