4-(3-methylpiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide

C19H30N2O3S — CID 109061524

IUPAC4-(3-methylpiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCCC(C)C2)cc1
InChIInChI=1S/C19H30N2O3S/c1-4-12-21(13-5-2)25(23,24)18-10-8-17(9-11-18)19(22)20-14-6-7-16(3)15-20/h8-11,16H,4-7,12-15H2,1-3H3
InChIKeyWRWIGXRJEIXXOH-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.37
Rot. Bonds7

About 4-(3-methylpiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide

4-(3-methylpiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide (PubChem CID 109061524) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 4-(3-methylpiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-methylpiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide
PubChem CID109061524
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name4-(3-methylpiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCCC(C)C2)cc1
InChIInChI=1S/C19H30N2O3S/c1-4-12-21(13-5-2)25(23,24)18-10-8-17(9-11-18)19(22)20-14-6-7-16(3)15-20/h8-11,16H,4-7,12-15H2,1-3H3
InChIKeyWRWIGXRJEIXXOH-UHFFFAOYSA-N
XLogP3.37
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-aminopiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide;hydrochloride
CID 119377266
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-dipropylbenzenesulfonamide;hydrochloride
CID 119592837
4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N,N-dipropylbenzenesulfonamide;hydrochloride
CID 119631027
N-ethyl-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 132658407
ethyl 1-[4-(dipropylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 44533421
4-chloro-N-[[4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]methyl]-N-prop-2-enylbenzenesulfonamide
CID 125043116
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 7377138
4-methoxy-N-[[4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]methyl]-N-prop-2-enylbenzenesulfonamide
CID 125043094
1-[4-[4-(3-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 109060483
N-tert-butyl-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 18105340
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 8764270
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide?
The IUPAC name of 4-(3-methylpiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide (CID 109061524) is 4-(3-methylpiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide.
What is the SMILES notation for 4-(3-methylpiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide?
The canonical SMILES for 4-(3-methylpiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCCC(C)C2)cc1.
What is the InChIKey of 4-(3-methylpiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide?
The InChIKey is WRWIGXRJEIXXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-4-12-21(13-5-2)25(23,24)18-10-8-17(9-11-18)19(22)20-14-6-7-16(3)15-20/h8-11,16H,4-7,12-15H2,1-3H3.
What are the key properties of 4-(3-methylpiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide?
4-(3-methylpiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide has a molecular weight of 366.53 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide is sourced from PubChem (CID 109061524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).