2-ethyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzenesulfonamide

C15H22N2O3S — CID 126819338

IUPAC2-ethyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzenesulfonamide
SMILESCCc1ccccc1S(=O)(=O)NCC1CCN(C)C(=O)C1
InChIInChI=1S/C15H22N2O3S/c1-3-13-6-4-5-7-14(13)21(19,20)16-11-12-8-9-17(2)15(18)10-12/h4-7,12,16H,3,8-11H2,1-2H3
InChIKeyAJPICMGGVYNBOE-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.40
Rot. Bonds5

About 2-ethyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzenesulfonamide

2-ethyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 126819338) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-ethyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID126819338
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-ethyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzenesulfonamide
SMILESCCc1ccccc1S(=O)(=O)NCC1CCN(C)C(=O)C1
InChIInChI=1S/C15H22N2O3S/c1-3-13-6-4-5-7-14(13)21(19,20)16-11-12-8-9-17(2)15(18)10-12/h4-7,12,16H,3,8-11H2,1-2H3
InChIKeyAJPICMGGVYNBOE-UHFFFAOYSA-N
XLogP1.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(4S)-1-methyl-2-oxopiperidin-4-yl]methyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 125421289
2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 62145800
N-(cyclobutylmethyl)-2-[(cyclopropylamino)methyl]benzenesulfonamide
CID 106024752
1-(2-ethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 120710068
2-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide
CID 71838669
1-[1-(2-ethylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 120712080
5-fluoro-2-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide
CID 131952010
N-(4-aminocyclohexyl)-2-ethylbenzenesulfonamide
CID 120708205
N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
CID 110737130
2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 62145977
2-ethyl-N-(4-hydroxybut-2-ynyl)benzenesulfonamide
CID 127266845
2-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 62159127

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-ethyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzenesulfonamide (CID 126819338) is 2-ethyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-ethyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-ethyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzenesulfonamide is CCc1ccccc1S(=O)(=O)NCC1CCN(C)C(=O)C1.
What is the InChIKey of 2-ethyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is AJPICMGGVYNBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-13-6-4-5-7-14(13)21(19,20)16-11-12-8-9-17(2)15(18)10-12/h4-7,12,16H,3,8-11H2,1-2H3.
What are the key properties of 2-ethyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzenesulfonamide?
2-ethyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(1-methyl-2-oxopiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 126819338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).