5-cyclopentylsulfonyl-2,2-dimethylpentan-1-amine

C12H25NO2S — CID 65262693

IUPAC5-cyclopentylsulfonyl-2,2-dimethylpentan-1-amine
SMILESCC(C)(CN)CCCS(=O)(=O)C1CCCC1
InChIInChI=1S/C12H25NO2S/c1-12(2,10-13)8-5-9-16(14,15)11-6-3-4-7-11/h11H,3-10,13H2,1-2H3
InChIKeyQFGXSIWHDJKXPZ-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.11
Rot. Bonds6

About 5-cyclopentylsulfonyl-2,2-dimethylpentan-1-amine

5-cyclopentylsulfonyl-2,2-dimethylpentan-1-amine (PubChem CID 65262693) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 5-cyclopentylsulfonyl-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-cyclopentylsulfonyl-2,2-dimethylpentan-1-amine
PubChem CID65262693
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name5-cyclopentylsulfonyl-2,2-dimethylpentan-1-amine
SMILESCC(C)(CN)CCCS(=O)(=O)C1CCCC1
InChIInChI=1S/C12H25NO2S/c1-12(2,10-13)8-5-9-16(14,15)11-6-3-4-7-11/h11H,3-10,13H2,1-2H3
InChIKeyQFGXSIWHDJKXPZ-UHFFFAOYSA-N
XLogP2.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentylsulfonyl-2,2-dimethylpentan-1-amine?
The IUPAC name of 5-cyclopentylsulfonyl-2,2-dimethylpentan-1-amine (CID 65262693) is 5-cyclopentylsulfonyl-2,2-dimethylpentan-1-amine.
What is the SMILES notation for 5-cyclopentylsulfonyl-2,2-dimethylpentan-1-amine?
The canonical SMILES for 5-cyclopentylsulfonyl-2,2-dimethylpentan-1-amine is CC(C)(CN)CCCS(=O)(=O)C1CCCC1.
What is the InChIKey of 5-cyclopentylsulfonyl-2,2-dimethylpentan-1-amine?
The InChIKey is QFGXSIWHDJKXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-12(2,10-13)8-5-9-16(14,15)11-6-3-4-7-11/h11H,3-10,13H2,1-2H3.
What are the key properties of 5-cyclopentylsulfonyl-2,2-dimethylpentan-1-amine?
5-cyclopentylsulfonyl-2,2-dimethylpentan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentylsulfonyl-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 65262693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).