N-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide

C15H22N2O3S — CID 110350939

IUPACN-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(S(=O)(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C15H22N2O3S/c1-3-16-15(18)13-7-9-17(10-8-13)21(19,20)14-6-4-5-12(2)11-14/h4-6,11,13H,3,7-10H2,1-2H3,(H,16,18)
InChIKeyAVHDXQGTVYEZDX-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.53
Rot. Bonds4

About N-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide

N-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 110350939) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID110350939
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(S(=O)(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C15H22N2O3S/c1-3-16-15(18)13-7-9-17(10-8-13)21(19,20)14-6-4-5-12(2)11-14/h4-6,11,13H,3,7-10H2,1-2H3,(H,16,18)
InChIKeyAVHDXQGTVYEZDX-UHFFFAOYSA-N
XLogP1.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003936
N-[(2-methylphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003987
N-(furan-2-ylmethyl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003913
1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 27234823
1-(3-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 113004473
ethyl 1-(3-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 3816303
methyl 1-(3-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 43404909
1-(2,6-dichlorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 40630200
N-(3-methylbutan-2-yl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 47090100
1-(3,4-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 38294416
1-(benzenesulfonyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18110259
1-(1,3-benzodioxol-5-ylsulfonyl)-N-ethylpiperidine-4-carboxamide
CID 110350937

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 110350939) is N-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide is CCNC(=O)C1CCN(S(=O)(=O)c2cccc(C)c2)CC1.
What is the InChIKey of N-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is AVHDXQGTVYEZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-16-15(18)13-7-9-17(10-8-13)21(19,20)14-6-4-5-12(2)11-14/h4-6,11,13H,3,7-10H2,1-2H3,(H,16,18).
What are the key properties of N-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 110350939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).