4-(cyclopentylmethylsulfonyl)butan-1-amine

C10H21NO2S — CID 64699087

IUPAC4-(cyclopentylmethylsulfonyl)butan-1-amine
SMILESNCCCCS(=O)(=O)CC1CCCC1
InChIInChI=1S/C10H21NO2S/c11-7-3-4-8-14(12,13)9-10-5-1-2-6-10/h10H,1-9,11H2
InChIKeyASDCZCQGQFZEKK-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.33
Rot. Bonds6

About 4-(cyclopentylmethylsulfonyl)butan-1-amine

4-(cyclopentylmethylsulfonyl)butan-1-amine (PubChem CID 64699087) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 4-(cyclopentylmethylsulfonyl)butan-1-amine.

Molecular Properties

Compound Name4-(cyclopentylmethylsulfonyl)butan-1-amine
PubChem CID64699087
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name4-(cyclopentylmethylsulfonyl)butan-1-amine
SMILESNCCCCS(=O)(=O)CC1CCCC1
InChIInChI=1S/C10H21NO2S/c11-7-3-4-8-14(12,13)9-10-5-1-2-6-10/h10H,1-9,11H2
InChIKeyASDCZCQGQFZEKK-UHFFFAOYSA-N
XLogP1.33
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(cyclopentylmethylsulfonyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethylsulfonyl)butan-1-amine?
The IUPAC name of 4-(cyclopentylmethylsulfonyl)butan-1-amine (CID 64699087) is 4-(cyclopentylmethylsulfonyl)butan-1-amine.
What is the SMILES notation for 4-(cyclopentylmethylsulfonyl)butan-1-amine?
The canonical SMILES for 4-(cyclopentylmethylsulfonyl)butan-1-amine is NCCCCS(=O)(=O)CC1CCCC1.
What is the InChIKey of 4-(cyclopentylmethylsulfonyl)butan-1-amine?
The InChIKey is ASDCZCQGQFZEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c11-7-3-4-8-14(12,13)9-10-5-1-2-6-10/h10H,1-9,11H2.
What are the key properties of 4-(cyclopentylmethylsulfonyl)butan-1-amine?
4-(cyclopentylmethylsulfonyl)butan-1-amine has a molecular weight of 219.35 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethylsulfonyl)butan-1-amine is sourced from PubChem (CID 64699087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).