2-(2-butylsulfonylethyl)cyclopentan-1-amine

C11H23NO2S — CID 79581425

IUPAC2-(2-butylsulfonylethyl)cyclopentan-1-amine
SMILESCCCCS(=O)(=O)CCC1CCCC1N
InChIInChI=1S/C11H23NO2S/c1-2-3-8-15(13,14)9-7-10-5-4-6-11(10)12/h10-11H,2-9,12H2,1H3
InChIKeyRRKSHAVDBCRJMA-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.72
Rot. Bonds6

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

2-(2-butylsulfonylethyl)cyclopentan-1-amine (PubChem CID 79581425) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-(2-butylsulfonylethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-(2-butylsulfonylethyl)cyclopentan-1-amine
PubChem CID79581425
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2-(2-butylsulfonylethyl)cyclopentan-1-amine
SMILESCCCCS(=O)(=O)CCC1CCCC1N
InChIInChI=1S/C11H23NO2S/c1-2-3-8-15(13,14)9-7-10-5-4-6-11(10)12/h10-11H,2-9,12H2,1H3
InChIKeyRRKSHAVDBCRJMA-UHFFFAOYSA-N
XLogP1.72
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-butylsulfonylethyl)cyclopentan-1-amine?
The IUPAC name of 2-(2-butylsulfonylethyl)cyclopentan-1-amine (CID 79581425) is 2-(2-butylsulfonylethyl)cyclopentan-1-amine.
What is the SMILES notation for 2-(2-butylsulfonylethyl)cyclopentan-1-amine?
The canonical SMILES for 2-(2-butylsulfonylethyl)cyclopentan-1-amine is CCCCS(=O)(=O)CCC1CCCC1N.
What is the InChIKey of 2-(2-butylsulfonylethyl)cyclopentan-1-amine?
The InChIKey is RRKSHAVDBCRJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-2-3-8-15(13,14)9-7-10-5-4-6-11(10)12/h10-11H,2-9,12H2,1H3.
What are the key properties of 2-(2-butylsulfonylethyl)cyclopentan-1-amine?
2-(2-butylsulfonylethyl)cyclopentan-1-amine has a molecular weight of 233.38 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butylsulfonylethyl)cyclopentan-1-amine is sourced from PubChem (CID 79581425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).