4-(3-aminopropyl)-N-(1-cyclobutylethyl)benzenesulfonamide

C15H24N2O2S — CID 106084795

IUPAC4-(3-aminopropyl)-N-(1-cyclobutylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(CCCN)cc1)C1CCC1
InChIInChI=1S/C15H24N2O2S/c1-12(14-5-2-6-14)17-20(18,19)15-9-7-13(8-10-15)4-3-11-16/h7-10,12,14,17H,2-6,11,16H2,1H3
InChIKeyFLWIVVYNNXTKRB-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.04
Rot. Bonds7

About 4-(3-aminopropyl)-N-(1-cyclobutylethyl)benzenesulfonamide

4-(3-aminopropyl)-N-(1-cyclobutylethyl)benzenesulfonamide (PubChem CID 106084795) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-(3-aminopropyl)-N-(1-cyclobutylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminopropyl)-N-(1-cyclobutylethyl)benzenesulfonamide
PubChem CID106084795
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-(3-aminopropyl)-N-(1-cyclobutylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(CCCN)cc1)C1CCC1
InChIInChI=1S/C15H24N2O2S/c1-12(14-5-2-6-14)17-20(18,19)15-9-7-13(8-10-15)4-3-11-16/h7-10,12,14,17H,2-6,11,16H2,1H3
InChIKeyFLWIVVYNNXTKRB-UHFFFAOYSA-N
XLogP2.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

N-(1-cyclopentylethyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
CID 106066113
N-(1-cyclopropylethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 60823570
4-(3-aminopropyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027391
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)benzenesulfonamide
CID 60823571
4-(aminomethyl)-N-(1-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 106997153
3-(aminomethyl)-N-(1-cyclobutylethyl)-4-methylbenzenesulfonamide
CID 106084883
4-(aminomethyl)-N-(1-cyclobutylethyl)-3-methylbenzenesulfonamide
CID 106919604
N-[(1S)-1-cyclopentylethyl]benzenesulfonamide
CID 81388674
N-[(1R)-1-cycloheptylethyl]benzenesulfonamide
CID 81393099
4-(3-aminopropyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114552052
6-(aminomethyl)-N-(1-cyclopentylethyl)pyridine-3-sulfonamide
CID 114613542
4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816866

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-N-(1-cyclobutylethyl)benzenesulfonamide?
The IUPAC name of 4-(3-aminopropyl)-N-(1-cyclobutylethyl)benzenesulfonamide (CID 106084795) is 4-(3-aminopropyl)-N-(1-cyclobutylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-aminopropyl)-N-(1-cyclobutylethyl)benzenesulfonamide?
The canonical SMILES for 4-(3-aminopropyl)-N-(1-cyclobutylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(CCCN)cc1)C1CCC1.
What is the InChIKey of 4-(3-aminopropyl)-N-(1-cyclobutylethyl)benzenesulfonamide?
The InChIKey is FLWIVVYNNXTKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12(14-5-2-6-14)17-20(18,19)15-9-7-13(8-10-15)4-3-11-16/h7-10,12,14,17H,2-6,11,16H2,1H3.
What are the key properties of 4-(3-aminopropyl)-N-(1-cyclobutylethyl)benzenesulfonamide?
4-(3-aminopropyl)-N-(1-cyclobutylethyl)benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-N-(1-cyclobutylethyl)benzenesulfonamide is sourced from PubChem (CID 106084795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).