4-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide

C19H32N2O2S — CID 3835146

IUPAC4-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NCCCN2CCCCC2C)cc1
InChIInChI=1S/C19H32N2O2S/c1-3-4-9-18-10-12-19(13-11-18)24(22,23)20-14-7-16-21-15-6-5-8-17(21)2/h10-13,17,20H,3-9,14-16H2,1-2H3
InChIKeyRAMQKZPKBNJXBU-UHFFFAOYSA-N
MW352.54 g/mol
LogP3.57
Rot. Bonds9

About 4-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide

4-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide (PubChem CID 3835146) has the molecular formula C19H32N2O2S and a molecular weight of 352.54 g/mol. Its IUPAC name is 4-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide
PubChem CID3835146
Molecular FormulaC19H32N2O2S
Molecular Weight352.54 g/mol
Exact Mass352.22
IUPAC Name4-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NCCCN2CCCCC2C)cc1
InChIInChI=1S/C19H32N2O2S/c1-3-4-9-18-10-12-19(13-11-18)24(22,23)20-14-7-16-21-15-6-5-8-17(21)2/h10-13,17,20H,3-9,14-16H2,1-2H3
InChIKeyRAMQKZPKBNJXBU-UHFFFAOYSA-N
XLogP3.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.54
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[(2R)-2-methylpiperidin-1-yl]ethylsulfamoyl]benzamide
CID 94182162
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide
CID 51221562
2-methyl-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111370825
N-benzyl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide
CID 24886136
1-[2-(benzenesulfonamido)ethyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111370199
2-methyl-1-(4-pentylphenyl)sulfonylpiperidine
CID 3419634
3-[(2R)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2R)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71451639
3-[(2S)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2S)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71455186
4-[4-(2-methylpiperidin-1-yl)butyl]phenol
CID 82187998
4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 19681719
N-cyclopropyl-4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]benzenesulfonamide
CID 68595971
methyl 2-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylamino]acetate
CID 71130531

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide (CID 3835146) is 4-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide is CCCCc1ccc(S(=O)(=O)NCCCN2CCCCC2C)cc1.
What is the InChIKey of 4-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide?
The InChIKey is RAMQKZPKBNJXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2S/c1-3-4-9-18-10-12-19(13-11-18)24(22,23)20-14-7-16-21-15-6-5-8-17(21)2/h10-13,17,20H,3-9,14-16H2,1-2H3.
What are the key properties of 4-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide?
4-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide has a molecular weight of 352.54 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 3835146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).