1-benzoyl-N-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-3-sulfonamide

C17H26N2O4S — CID 75474606

IUPAC1-benzoyl-N-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-3-sulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)C1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C17H26N2O4S/c1-17(2,21)13-18(3)24(22,23)15-10-7-11-19(12-15)16(20)14-8-5-4-6-9-14/h4-6,8-9,15,21H,7,10-13H2,1-3H3
InChIKeyUIZRZJHTANCTME-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.32
Rot. Bonds5

About 1-benzoyl-N-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-3-sulfonamide

1-benzoyl-N-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-3-sulfonamide (PubChem CID 75474606) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 1-benzoyl-N-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name1-benzoyl-N-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-3-sulfonamide
PubChem CID75474606
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name1-benzoyl-N-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-3-sulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)C1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C17H26N2O4S/c1-17(2,21)13-18(3)24(22,23)15-10-7-11-19(12-15)16(20)14-8-5-4-6-9-14/h4-6,8-9,15,21H,7,10-13H2,1-3H3
InChIKeyUIZRZJHTANCTME-UHFFFAOYSA-N
XLogP1.32
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-benzoylpiperidin-3-yl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 75474373
1-benzoylpiperidine-3-sulfonyl chloride
CID 75480400
phenyl-(3-pyrrolidin-1-ylsulfonylpiperidin-1-yl)methanone
CID 75474346
(3-morpholin-4-ylsulfonylpiperidin-1-yl)-phenylmethanone
CID 75473929
1-(3-chlorobenzoyl)-N-methyl-N-(pyridin-4-ylmethyl)piperidine-3-sulfonamide
CID 75476075
tert-butyl N-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N-methylcarbamate
CID 94806593
(3R)-1-(3-chlorobenzoyl)-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-sulfonamide
CID 97348630
3-(benzenesulfonyl)piperidine-1-carboxylic acid
CID 91356890
(3-fluoropiperidin-1-yl)-phenylmethanone
CID 167717341
tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate
CID 60549057
4-(1-benzoylpiperidin-3-yl)sulfonylpiperazin-2-one
CID 75474370
(2R,3R)-1-(1-benzoylazetidin-3-yl)sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122105008

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-3-sulfonamide?
The IUPAC name of 1-benzoyl-N-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-3-sulfonamide (CID 75474606) is 1-benzoyl-N-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-3-sulfonamide.
What is the SMILES notation for 1-benzoyl-N-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-3-sulfonamide?
The canonical SMILES for 1-benzoyl-N-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-3-sulfonamide is CN(CC(C)(C)O)S(=O)(=O)C1CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of 1-benzoyl-N-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-3-sulfonamide?
The InChIKey is UIZRZJHTANCTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-17(2,21)13-18(3)24(22,23)15-10-7-11-19(12-15)16(20)14-8-5-4-6-9-14/h4-6,8-9,15,21H,7,10-13H2,1-3H3.
What are the key properties of 1-benzoyl-N-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-3-sulfonamide?
1-benzoyl-N-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-3-sulfonamide has a molecular weight of 354.47 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-3-sulfonamide is sourced from PubChem (CID 75474606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).