4-(3-aminopropyl)-N-(3-methylcyclopentyl)benzenesulfonamide

C15H24N2O2S — CID 114552052

IUPAC4-(3-aminopropyl)-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(CCCN)cc2)C1
InChIInChI=1S/C15H24N2O2S/c1-12-4-7-14(11-12)17-20(18,19)15-8-5-13(6-9-15)3-2-10-16/h5-6,8-9,12,14,17H,2-4,7,10-11,16H2,1H3
InChIKeyUOPOHPUKVDPISR-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.04
Rot. Bonds6

About 4-(3-aminopropyl)-N-(3-methylcyclopentyl)benzenesulfonamide

4-(3-aminopropyl)-N-(3-methylcyclopentyl)benzenesulfonamide (PubChem CID 114552052) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-(3-aminopropyl)-N-(3-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminopropyl)-N-(3-methylcyclopentyl)benzenesulfonamide
PubChem CID114552052
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-(3-aminopropyl)-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(CCCN)cc2)C1
InChIInChI=1S/C15H24N2O2S/c1-12-4-7-14(11-12)17-20(18,19)15-8-5-13(6-9-15)3-2-10-16/h5-6,8-9,12,14,17H,2-4,7,10-11,16H2,1H3
InChIKeyUOPOHPUKVDPISR-UHFFFAOYSA-N
XLogP2.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-aminopropyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027391
4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 16787126
2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid
CID 114543628
4-(2-chloroethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 43662590
4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545225
4-(aminomethyl)-3-chloro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545500
ethyl 4-[(3-methylcyclopentyl)sulfamoyl]benzoate
CID 114545305
N-cyclopropyl-4-[(3-methylcyclopentyl)amino]benzenesulfonamide
CID 114547826
4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide
CID 16643216
4-(3-aminopropyl)-N-(1-cyclobutylethyl)benzenesulfonamide
CID 106084795
4-[2-[(3-methylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64500491
3-fluoro-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545307

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-N-(3-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 4-(3-aminopropyl)-N-(3-methylcyclopentyl)benzenesulfonamide (CID 114552052) is 4-(3-aminopropyl)-N-(3-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-aminopropyl)-N-(3-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 4-(3-aminopropyl)-N-(3-methylcyclopentyl)benzenesulfonamide is CC1CCC(NS(=O)(=O)c2ccc(CCCN)cc2)C1.
What is the InChIKey of 4-(3-aminopropyl)-N-(3-methylcyclopentyl)benzenesulfonamide?
The InChIKey is UOPOHPUKVDPISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12-4-7-14(11-12)17-20(18,19)15-8-5-13(6-9-15)3-2-10-16/h5-6,8-9,12,14,17H,2-4,7,10-11,16H2,1H3.
What are the key properties of 4-(3-aminopropyl)-N-(3-methylcyclopentyl)benzenesulfonamide?
4-(3-aminopropyl)-N-(3-methylcyclopentyl)benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-N-(3-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 114552052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).