2-(2-cyclohexylsulfonylethyl)cyclopentan-1-amine

C13H25NO2S — CID 79581966

IUPAC2-(2-cyclohexylsulfonylethyl)cyclopentan-1-amine
SMILESNC1CCCC1CCS(=O)(=O)C1CCCCC1
InChIInChI=1S/C13H25NO2S/c14-13-8-4-5-11(13)9-10-17(15,16)12-6-2-1-3-7-12/h11-13H,1-10,14H2
InChIKeyIXRWNIIATCOLAJ-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.25
Rot. Bonds4

About 2-(2-cyclohexylsulfonylethyl)cyclopentan-1-amine

2-(2-cyclohexylsulfonylethyl)cyclopentan-1-amine (PubChem CID 79581966) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 2-(2-cyclohexylsulfonylethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-(2-cyclohexylsulfonylethyl)cyclopentan-1-amine
PubChem CID79581966
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name2-(2-cyclohexylsulfonylethyl)cyclopentan-1-amine
SMILESNC1CCCC1CCS(=O)(=O)C1CCCCC1
InChIInChI=1S/C13H25NO2S/c14-13-8-4-5-11(13)9-10-17(15,16)12-6-2-1-3-7-12/h11-13H,1-10,14H2
InChIKeyIXRWNIIATCOLAJ-UHFFFAOYSA-N
XLogP2.25
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylsulfonylethyl)cyclopentan-1-amine?
The IUPAC name of 2-(2-cyclohexylsulfonylethyl)cyclopentan-1-amine (CID 79581966) is 2-(2-cyclohexylsulfonylethyl)cyclopentan-1-amine.
What is the SMILES notation for 2-(2-cyclohexylsulfonylethyl)cyclopentan-1-amine?
The canonical SMILES for 2-(2-cyclohexylsulfonylethyl)cyclopentan-1-amine is NC1CCCC1CCS(=O)(=O)C1CCCCC1.
What is the InChIKey of 2-(2-cyclohexylsulfonylethyl)cyclopentan-1-amine?
The InChIKey is IXRWNIIATCOLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c14-13-8-4-5-11(13)9-10-17(15,16)12-6-2-1-3-7-12/h11-13H,1-10,14H2.
What are the key properties of 2-(2-cyclohexylsulfonylethyl)cyclopentan-1-amine?
2-(2-cyclohexylsulfonylethyl)cyclopentan-1-amine has a molecular weight of 259.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylsulfonylethyl)cyclopentan-1-amine is sourced from PubChem (CID 79581966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).