4-[1-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-methylamino]ethyl]benzenesulfonamide

C18H29N3O3S — CID 55412916

IUPAC4-[1-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-methylamino]ethyl]benzenesulfonamide
SMILESCCC1CCCCN1C(=O)CN(C)C(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H29N3O3S/c1-4-16-7-5-6-12-21(16)18(22)13-20(3)14(2)15-8-10-17(11-9-15)25(19,23)24/h8-11,14,16H,4-7,12-13H2,1-3H3,(H2,19,23,24)
InChIKeyTYMLVQZBUINTBE-UHFFFAOYSA-N
MW367.52 g/mol
LogP2.12
Rot. Bonds6

About 4-[1-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-methylamino]ethyl]benzenesulfonamide

4-[1-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-methylamino]ethyl]benzenesulfonamide (PubChem CID 55412916) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 4-[1-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-methylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-methylamino]ethyl]benzenesulfonamide
PubChem CID55412916
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name4-[1-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-methylamino]ethyl]benzenesulfonamide
SMILESCCC1CCCCN1C(=O)CN(C)C(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H29N3O3S/c1-4-16-7-5-6-12-21(16)18(22)13-20(3)14(2)15-8-10-17(11-9-15)25(19,23)24/h8-11,14,16H,4-7,12-13H2,1-3H3,(H2,19,23,24)
InChIKeyTYMLVQZBUINTBE-UHFFFAOYSA-N
XLogP2.12
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 78767110
(2R)-2-[[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid
CID 124834654
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide
CID 119467147
N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclobutanecarboxamide
CID 34737269
3-(4-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 104502338
N-[(1S)-1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[(2S)-2-ethylpyrrolidin-1-yl]-2-oxoacetamide
CID 99785364
N-[4-(azepan-1-yl)phenyl]-2-[methyl-[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 40792110
1-(2-ethylpiperidin-1-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone
CID 112815163
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride
CID 119928683
2-(4-aminophenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
CID 43299054
N-cyclopentyl-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113148905
1-(2-ethylpiperidin-1-yl)-4-methylpentan-1-one
CID 150449781

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-methylamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-methylamino]ethyl]benzenesulfonamide (CID 55412916) is 4-[1-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-methylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-methylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-methylamino]ethyl]benzenesulfonamide is CCC1CCCCN1C(=O)CN(C)C(C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[1-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-methylamino]ethyl]benzenesulfonamide?
The InChIKey is TYMLVQZBUINTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-4-16-7-5-6-12-21(16)18(22)13-20(3)14(2)15-8-10-17(11-9-15)25(19,23)24/h8-11,14,16H,4-7,12-13H2,1-3H3,(H2,19,23,24).
What are the key properties of 4-[1-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-methylamino]ethyl]benzenesulfonamide?
4-[1-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-methylamino]ethyl]benzenesulfonamide has a molecular weight of 367.52 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-methylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 55412916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).