4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide

C17H26N2O4S — CID 146087240

IUPAC4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCC(C)C(O)C2)cc1
InChIInChI=1S/C17H26N2O4S/c1-12(2)10-18-24(22,23)15-6-4-14(5-7-15)17(21)19-9-8-13(3)16(20)11-19/h4-7,12-13,16,18,20H,8-11H2,1-3H3
InChIKeyHIVALKVWKDCINO-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.46
Rot. Bonds5

About 4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide

4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 146087240) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide
PubChem CID146087240
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCC(C)C(O)C2)cc1
InChIInChI=1S/C17H26N2O4S/c1-12(2)10-18-24(22,23)15-6-4-14(5-7-15)17(21)19-9-8-13(3)16(20)11-19/h4-7,12-13,16,18,20H,8-11H2,1-3H3
InChIKeyHIVALKVWKDCINO-UHFFFAOYSA-N
XLogP1.46
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109058905
4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 66260464
4-[2-(aminomethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)benzenesulfonamide
CID 119468208
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N-(2-methylpropyl)benzenesulfonamide;hydrochloride
CID 120804882
4-(2-methylpropylsulfamoyl)benzoic acid
CID 611819
3-methyl-1-[4-(2-methylpropylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119256710
4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-N-ethylbenzenesulfonamide
CID 79406673
(4-bromophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103901069
4-(2-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide
CID 119472055
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)benzenesulfonamide
CID 119436332
4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-N-ethylbenzenesulfonamide
CID 9295225
[4-(3-aminoprop-1-ynyl)phenyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102964038

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide (CID 146087240) is 4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide is CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCC(C)C(O)C2)cc1.
What is the InChIKey of 4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is HIVALKVWKDCINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-12(2)10-18-24(22,23)15-6-4-14(5-7-15)17(21)19-9-8-13(3)16(20)11-19/h4-7,12-13,16,18,20H,8-11H2,1-3H3.
What are the key properties of 4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide?
4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 354.47 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 146087240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).