1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

C17H24N2O4S — CID 2921460

IUPAC1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O4S/c20-17(18-13-15-5-4-12-23-15)14-8-10-19(11-9-14)24(21,22)16-6-2-1-3-7-16/h1-3,6-7,14-15H,4-5,8-13H2,(H,18,20)
InChIKeyZYHZURLFVXCFEN-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.38
Rot. Bonds5

About 1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 2921460) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID2921460
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O4S/c20-17(18-13-15-5-4-12-23-15)14-8-10-19(11-9-14)24(21,22)16-6-2-1-3-7-16/h1-3,6-7,14-15H,4-5,8-13H2,(H,18,20)
InChIKeyZYHZURLFVXCFEN-UHFFFAOYSA-N
XLogP1.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((2S)-1-oxo-1-(((tetrahydrofuran-2-yl)methyl)amino)propan-2-yl)-1-tosylpiperidine-4-carboxamide
CID 5389529
1-Benzenesulfonyl-piperidine-4-carboxylic acid ([1,4]dioxan-2-ylmethyl)-amide
CID 645869
1-(benzylsulfonyl)-N-(tetrahydrofuran-2-ylmethyl)piperidine-4-carboxamide
CID 651955
Morpholino[1-(phenylsulfonyl)-4-piperidinyl]methanone
CID 802533
1-(2,5-dichlorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 2939698
1-[(4-methylphenyl)sulfonyl]-N-[3-(propan-2-yloxy)propyl]piperidine-4-carboxamide
CID 3156693
N-Cyclopentyl-2-[[2-(4-fluoro-benzenesulfonylamino)-acetyl]-(tetrahydro-furan-2-ylmethyl)-amino]-3-methyl-butyramide
CID 3207003
2-[(2-Benzenesulfonylamino-acetyl)-(tetrahydro-furan-2-ylmethyl)-amino]-N-cyclopentyl-3-methyl-butyramide
CID 3207190
1-(3-Trifluoromethyl-benzenesulfonyl)-piperidine-3-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
CID 3230729
1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-2-carboxamide
CID 3237390
1-{[4-(methylsulfanyl)phenyl]sulfonyl}-N-(tetrahydrofuran-2-ylmethyl)piperidine-4-carboxamide
CID 6473156
(3S,4S)-1-(benzenesulfonyl)-N-(cyanomethyl)-4-(morpholine-4-carbonyl)pyrrolidine-3-carboxamide
CID 72793721

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 2921460) is 1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is O=C(NCC1CCCO1)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is ZYHZURLFVXCFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c20-17(18-13-15-5-4-12-23-15)14-8-10-19(11-9-14)24(21,22)16-6-2-1-3-7-16/h1-3,6-7,14-15H,4-5,8-13H2,(H,18,20).
What are the key properties of 1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 2921460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).