5-(cyclopentylmethylsulfonyl)pentan-1-amine

C11H23NO2S — CID 64699293

IUPAC5-(cyclopentylmethylsulfonyl)pentan-1-amine
SMILESNCCCCCS(=O)(=O)CC1CCCC1
InChIInChI=1S/C11H23NO2S/c12-8-4-1-5-9-15(13,14)10-11-6-2-3-7-11/h11H,1-10,12H2
InChIKeyAEJVBUYQKCPMAN-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.72
Rot. Bonds7

About 5-(cyclopentylmethylsulfonyl)pentan-1-amine

5-(cyclopentylmethylsulfonyl)pentan-1-amine (PubChem CID 64699293) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 5-(cyclopentylmethylsulfonyl)pentan-1-amine.

Molecular Properties

Compound Name5-(cyclopentylmethylsulfonyl)pentan-1-amine
PubChem CID64699293
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name5-(cyclopentylmethylsulfonyl)pentan-1-amine
SMILESNCCCCCS(=O)(=O)CC1CCCC1
InChIInChI=1S/C11H23NO2S/c12-8-4-1-5-9-15(13,14)10-11-6-2-3-7-11/h11H,1-10,12H2
InChIKeyAEJVBUYQKCPMAN-UHFFFAOYSA-N
XLogP1.72
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethylsulfonyl)pentan-1-amine?
The IUPAC name of 5-(cyclopentylmethylsulfonyl)pentan-1-amine (CID 64699293) is 5-(cyclopentylmethylsulfonyl)pentan-1-amine.
What is the SMILES notation for 5-(cyclopentylmethylsulfonyl)pentan-1-amine?
The canonical SMILES for 5-(cyclopentylmethylsulfonyl)pentan-1-amine is NCCCCCS(=O)(=O)CC1CCCC1.
What is the InChIKey of 5-(cyclopentylmethylsulfonyl)pentan-1-amine?
The InChIKey is AEJVBUYQKCPMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c12-8-4-1-5-9-15(13,14)10-11-6-2-3-7-11/h11H,1-10,12H2.
What are the key properties of 5-(cyclopentylmethylsulfonyl)pentan-1-amine?
5-(cyclopentylmethylsulfonyl)pentan-1-amine has a molecular weight of 233.38 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethylsulfonyl)pentan-1-amine is sourced from PubChem (CID 64699293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).