N-(3-butylsulfonylpropyl)cyclopentanamine

C12H25NO2S — CID 106512483

IUPACN-(3-butylsulfonylpropyl)cyclopentanamine
SMILESCCCCS(=O)(=O)CCCNC1CCCC1
InChIInChI=1S/C12H25NO2S/c1-2-3-10-16(14,15)11-6-9-13-12-7-4-5-8-12/h12-13H,2-11H2,1H3
InChIKeyJJBWCPHLPXJTEF-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.12
Rot. Bonds8

About N-(3-butylsulfonylpropyl)cyclopentanamine

N-(3-butylsulfonylpropyl)cyclopentanamine (PubChem CID 106512483) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-(3-butylsulfonylpropyl)cyclopentanamine.

Molecular Properties

Compound NameN-(3-butylsulfonylpropyl)cyclopentanamine
PubChem CID106512483
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-(3-butylsulfonylpropyl)cyclopentanamine
SMILESCCCCS(=O)(=O)CCCNC1CCCC1
InChIInChI=1S/C12H25NO2S/c1-2-3-10-16(14,15)11-6-9-13-12-7-4-5-8-12/h12-13H,2-11H2,1H3
InChIKeyJJBWCPHLPXJTEF-UHFFFAOYSA-N
XLogP2.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-butylsulfonylpropyl)cyclopentanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-dodecylcyclohexanamine
CID 3679395
N-butylcyclohexanamine;molecular hydrogen
CID 143047743
N-[3-(2-methoxyethylsulfonyl)propyl]cyclopropanamine
CID 64647289
N-(3-cyclohexylsulfonylpropyl)cyclohexanamine
CID 106513012
N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 65093523
2-(cyclohexylamino)-N-octylethanesulfonamide
CID 45480035
3-(cyclohexylamino)propane-1-sulfonic acid;N,N-diethylethanamine
CID 87233170
N-propylcyclohexanamine;sulfuric acid
CID 22994805
4-methyl-N-(3-methylsulfonylpropyl)cycloheptan-1-amine
CID 65080083
4-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 103830760
N-(2-pentylsulfanylethyl)cyclopentanamine
CID 107756998
N',N'-dibutyl-N-cyclopentylpropane-1,3-diamine
CID 55087820

Frequently Asked Questions

What is the IUPAC name of N-(3-butylsulfonylpropyl)cyclopentanamine?
The IUPAC name of N-(3-butylsulfonylpropyl)cyclopentanamine (CID 106512483) is N-(3-butylsulfonylpropyl)cyclopentanamine.
What is the SMILES notation for N-(3-butylsulfonylpropyl)cyclopentanamine?
The canonical SMILES for N-(3-butylsulfonylpropyl)cyclopentanamine is CCCCS(=O)(=O)CCCNC1CCCC1.
What is the InChIKey of N-(3-butylsulfonylpropyl)cyclopentanamine?
The InChIKey is JJBWCPHLPXJTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-2-3-10-16(14,15)11-6-9-13-12-7-4-5-8-12/h12-13H,2-11H2,1H3.
What are the key properties of N-(3-butylsulfonylpropyl)cyclopentanamine?
N-(3-butylsulfonylpropyl)cyclopentanamine has a molecular weight of 247.40 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butylsulfonylpropyl)cyclopentanamine is sourced from PubChem (CID 106512483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).