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

C16H26N2O2S — CID 106027391

IUPAC4-(3-aminopropyl)-N-(3-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2ccc(CCCN)cc2)C1
InChIInChI=1S/C16H26N2O2S/c1-13-4-2-6-15(12-13)18-21(19,20)16-9-7-14(8-10-16)5-3-11-17/h7-10,13,15,18H,2-6,11-12,17H2,1H3
InChIKeyCOJHMAXNJJBHLS-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.43
Rot. Bonds6

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

4-(3-aminopropyl)-N-(3-methylcyclohexyl)benzenesulfonamide (PubChem CID 106027391) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 4-(3-aminopropyl)-N-(3-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminopropyl)-N-(3-methylcyclohexyl)benzenesulfonamide
PubChem CID106027391
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name4-(3-aminopropyl)-N-(3-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2ccc(CCCN)cc2)C1
InChIInChI=1S/C16H26N2O2S/c1-13-4-2-6-15(12-13)18-21(19,20)16-9-7-14(8-10-16)5-3-11-17/h7-10,13,15,18H,2-6,11-12,17H2,1H3
InChIKeyCOJHMAXNJJBHLS-UHFFFAOYSA-N
XLogP2.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3-aminopropyl)-N-(3-methylcyclohexyl)benzenesulfonamide 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

4-(3-aminopropyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114552052
4-(2-chloroethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 43662590
4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide
CID 16643216
4-(3-aminopropyl)-N-(1-cyclobutylethyl)benzenesulfonamide
CID 106084795
5-(aminomethyl)-2-bromo-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027504
2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid
CID 114543628
4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 16787126
N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
3-bromo-4-chloro-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106610863
4-(aminomethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide
CID 114138567
4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545225

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-N-(3-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 4-(3-aminopropyl)-N-(3-methylcyclohexyl)benzenesulfonamide (CID 106027391) is 4-(3-aminopropyl)-N-(3-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-aminopropyl)-N-(3-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-(3-aminopropyl)-N-(3-methylcyclohexyl)benzenesulfonamide is CC1CCCC(NS(=O)(=O)c2ccc(CCCN)cc2)C1.
What is the InChIKey of 4-(3-aminopropyl)-N-(3-methylcyclohexyl)benzenesulfonamide?
The InChIKey is COJHMAXNJJBHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-13-4-2-6-15(12-13)18-21(19,20)16-9-7-14(8-10-16)5-3-11-17/h7-10,13,15,18H,2-6,11-12,17H2,1H3.
What are the key properties of 4-(3-aminopropyl)-N-(3-methylcyclohexyl)benzenesulfonamide?
4-(3-aminopropyl)-N-(3-methylcyclohexyl)benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.43, 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-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 106027391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).