4-cyclopentylsulfonyl-2,2-dimethylbutan-1-amine

C11H23NO2S — CID 65256775

IUPAC4-cyclopentylsulfonyl-2,2-dimethylbutan-1-amine
SMILESCC(C)(CN)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C11H23NO2S/c1-11(2,9-12)7-8-15(13,14)10-5-3-4-6-10/h10H,3-9,12H2,1-2H3
InChIKeyCZLBGAIDOGPCIO-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.72
Rot. Bonds5

About 4-cyclopentylsulfonyl-2,2-dimethylbutan-1-amine

4-cyclopentylsulfonyl-2,2-dimethylbutan-1-amine (PubChem CID 65256775) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 4-cyclopentylsulfonyl-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-cyclopentylsulfonyl-2,2-dimethylbutan-1-amine
PubChem CID65256775
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name4-cyclopentylsulfonyl-2,2-dimethylbutan-1-amine
SMILESCC(C)(CN)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C11H23NO2S/c1-11(2,9-12)7-8-15(13,14)10-5-3-4-6-10/h10H,3-9,12H2,1-2H3
InChIKeyCZLBGAIDOGPCIO-UHFFFAOYSA-N
XLogP1.72
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 4-cyclopentylsulfonyl-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-cyclopentylsulfonyl-2,2-dimethylbutan-1-amine (CID 65256775) is 4-cyclopentylsulfonyl-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-cyclopentylsulfonyl-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-cyclopentylsulfonyl-2,2-dimethylbutan-1-amine is CC(C)(CN)CCS(=O)(=O)C1CCCC1.
What is the InChIKey of 4-cyclopentylsulfonyl-2,2-dimethylbutan-1-amine?
The InChIKey is CZLBGAIDOGPCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-11(2,9-12)7-8-15(13,14)10-5-3-4-6-10/h10H,3-9,12H2,1-2H3.
What are the key properties of 4-cyclopentylsulfonyl-2,2-dimethylbutan-1-amine?
4-cyclopentylsulfonyl-2,2-dimethylbutan-1-amine has a molecular weight of 233.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfonyl-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 65256775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).