1-[2-(benzenesulfonyl)ethyl]piperidine-4-carboxamide

C14H20N2O3S — CID 2821924

IUPAC1-[2-(benzenesulfonyl)ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C14H20N2O3S/c15-14(17)12-6-8-16(9-7-12)10-11-20(18,19)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H2,15,17)
InChIKeyDNRNVRDIRPNWHT-UHFFFAOYSA-N
MW296.39 g/mol
LogP0.66
Rot. Bonds5

About 1-[2-(benzenesulfonyl)ethyl]piperidine-4-carboxamide

1-[2-(benzenesulfonyl)ethyl]piperidine-4-carboxamide (PubChem CID 2821924) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-[2-(benzenesulfonyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(benzenesulfonyl)ethyl]piperidine-4-carboxamide
PubChem CID2821924
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name1-[2-(benzenesulfonyl)ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C14H20N2O3S/c15-14(17)12-6-8-16(9-7-12)10-11-20(18,19)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H2,15,17)
InChIKeyDNRNVRDIRPNWHT-UHFFFAOYSA-N
XLogP0.66
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methylphenyl)sulfonylethyl]piperidine-4-carboxamide
CID 23735152
1-[2-(benzenesulfonyl)ethyl]pyrrolidine;hydrochloride
CID 117068077
1-[2-(benzenesulfonyl)acetyl]piperidine-4-carboxamide
CID 17312294
(3S)-1-[1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]piperidine-3-carboxylic acid
CID 125445600
[(2R)-2-[1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]azepan-1-yl]-cyclopropylmethanone
CID 95327845
1-[2-(4-bromophenyl)sulfonylethyl]pyrrolidine-3-carboxylic acid
CID 63031361
(3S)-1-[2-(4-bromophenyl)sulfonylethyl]piperidine-3-carboxamide
CID 9305070
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-4-carboxamide
CID 39903901
[4-[2-(benzenesulfonyl)ethyl]-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone
CID 137345568
2-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]-N-methylethanamine
CID 143882421
1-(6-phenylmethoxyhexyl)piperidine-4-carboxamide
CID 139907384
1-[[1-[3-(benzenesulfonyl)propyl]piperidin-4-yl]methyl]azepane
CID 55922029

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfonyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(benzenesulfonyl)ethyl]piperidine-4-carboxamide (CID 2821924) is 1-[2-(benzenesulfonyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(benzenesulfonyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(benzenesulfonyl)ethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CCS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[2-(benzenesulfonyl)ethyl]piperidine-4-carboxamide?
The InChIKey is DNRNVRDIRPNWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c15-14(17)12-6-8-16(9-7-12)10-11-20(18,19)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H2,15,17).
What are the key properties of 1-[2-(benzenesulfonyl)ethyl]piperidine-4-carboxamide?
1-[2-(benzenesulfonyl)ethyl]piperidine-4-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzenesulfonyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 2821924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).