4-amino-N-(cyclopentylmethyl)-N-methylbutane-1-sulfonamide

C11H24N2O2S — CID 63630732

IUPAC4-amino-N-(cyclopentylmethyl)-N-methylbutane-1-sulfonamide
SMILESCN(CC1CCCC1)S(=O)(=O)CCCCN
InChIInChI=1S/C11H24N2O2S/c1-13(10-11-6-2-3-7-11)16(14,15)9-5-4-8-12/h11H,2-10,12H2,1H3
InChIKeyLXGIONJLASNAFC-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.18
Rot. Bonds7

About 4-amino-N-(cyclopentylmethyl)-N-methylbutane-1-sulfonamide

4-amino-N-(cyclopentylmethyl)-N-methylbutane-1-sulfonamide (PubChem CID 63630732) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 4-amino-N-(cyclopentylmethyl)-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(cyclopentylmethyl)-N-methylbutane-1-sulfonamide
PubChem CID63630732
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name4-amino-N-(cyclopentylmethyl)-N-methylbutane-1-sulfonamide
SMILESCN(CC1CCCC1)S(=O)(=O)CCCCN
InChIInChI=1S/C11H24N2O2S/c1-13(10-11-6-2-3-7-11)16(14,15)9-5-4-8-12/h11H,2-10,12H2,1H3
InChIKeyLXGIONJLASNAFC-UHFFFAOYSA-N
XLogP1.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-(cyclopentylmethyl)-N-methylbutane-1-sulfonamide 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-(cyclopentylmethyl)-N-methylpropane-1-sulfonamide
CID 62068860
N'-[cyclopentylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 63630912
4-[cyclobutylmethyl(methyl)sulfamoyl]butanoic acid
CID 62862361
3-[cyclopentylmethyl(methyl)sulfamoyl]propanoic acid
CID 63631065
3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1-sulfonamide
CID 79313720
N-(cyclobutylmethyl)-N-methyl-2-(methylamino)ethanesulfonamide
CID 62854210
4-amino-N-methyl-N-(2-methylcyclohexyl)butane-1-sulfonamide
CID 55005041
3-amino-N-cyclopentyl-N-methylpropane-1-sulfonamide
CID 60910343
4-(cyclopentylmethylsulfonyl)butan-1-amine
CID 64699087
N-(cyclohexylmethyl)-N-methylmethanesulfonamide
CID 60728833
N'-(cyclopentylmethyl)-N'-methylheptane-1,7-diamine
CID 63656557
4-amino-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide
CID 62333188

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(cyclopentylmethyl)-N-methylbutane-1-sulfonamide?
The IUPAC name of 4-amino-N-(cyclopentylmethyl)-N-methylbutane-1-sulfonamide (CID 63630732) is 4-amino-N-(cyclopentylmethyl)-N-methylbutane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(cyclopentylmethyl)-N-methylbutane-1-sulfonamide?
The canonical SMILES for 4-amino-N-(cyclopentylmethyl)-N-methylbutane-1-sulfonamide is CN(CC1CCCC1)S(=O)(=O)CCCCN.
What is the InChIKey of 4-amino-N-(cyclopentylmethyl)-N-methylbutane-1-sulfonamide?
The InChIKey is LXGIONJLASNAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-13(10-11-6-2-3-7-11)16(14,15)9-5-4-8-12/h11H,2-10,12H2,1H3.
What are the key properties of 4-amino-N-(cyclopentylmethyl)-N-methylbutane-1-sulfonamide?
4-amino-N-(cyclopentylmethyl)-N-methylbutane-1-sulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(cyclopentylmethyl)-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 63630732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).