2-[2-(2-methylphenyl)sulfonylethyl]cyclopentan-1-amine

C14H21NO2S — CID 79581498

IUPAC2-[2-(2-methylphenyl)sulfonylethyl]cyclopentan-1-amine
SMILESCc1ccccc1S(=O)(=O)CCC1CCCC1N
InChIInChI=1S/C14H21NO2S/c1-11-5-2-3-8-14(11)18(16,17)10-9-12-6-4-7-13(12)15/h2-3,5,8,12-13H,4,6-7,9-10,15H2,1H3
InChIKeyYFKWRLYQJANVCX-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.29
Rot. Bonds4

About 2-[2-(2-methylphenyl)sulfonylethyl]cyclopentan-1-amine

2-[2-(2-methylphenyl)sulfonylethyl]cyclopentan-1-amine (PubChem CID 79581498) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-[2-(2-methylphenyl)sulfonylethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(2-methylphenyl)sulfonylethyl]cyclopentan-1-amine
PubChem CID79581498
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-[2-(2-methylphenyl)sulfonylethyl]cyclopentan-1-amine
SMILESCc1ccccc1S(=O)(=O)CCC1CCCC1N
InChIInChI=1S/C14H21NO2S/c1-11-5-2-3-8-14(11)18(16,17)10-9-12-6-4-7-13(12)15/h2-3,5,8,12-13H,4,6-7,9-10,15H2,1H3
InChIKeyYFKWRLYQJANVCX-UHFFFAOYSA-N
XLogP2.29
TPSA60.16 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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenyl)sulfonylethyl]cyclopentan-1-amine?
The IUPAC name of 2-[2-(2-methylphenyl)sulfonylethyl]cyclopentan-1-amine (CID 79581498) is 2-[2-(2-methylphenyl)sulfonylethyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[2-(2-methylphenyl)sulfonylethyl]cyclopentan-1-amine?
The canonical SMILES for 2-[2-(2-methylphenyl)sulfonylethyl]cyclopentan-1-amine is Cc1ccccc1S(=O)(=O)CCC1CCCC1N.
What is the InChIKey of 2-[2-(2-methylphenyl)sulfonylethyl]cyclopentan-1-amine?
The InChIKey is YFKWRLYQJANVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11-5-2-3-8-14(11)18(16,17)10-9-12-6-4-7-13(12)15/h2-3,5,8,12-13H,4,6-7,9-10,15H2,1H3.
What are the key properties of 2-[2-(2-methylphenyl)sulfonylethyl]cyclopentan-1-amine?
2-[2-(2-methylphenyl)sulfonylethyl]cyclopentan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenyl)sulfonylethyl]cyclopentan-1-amine is sourced from PubChem (CID 79581498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).