3-[1-(methylamino)ethyl]-N-(2-oxopiperidin-3-yl)benzenesulfonamide

C14H21N3O3S — CID 62093994

IUPAC3-[1-(methylamino)ethyl]-N-(2-oxopiperidin-3-yl)benzenesulfonamide
SMILESCNC(C)c1cccc(S(=O)(=O)NC2CCCNC2=O)c1
InChIInChI=1S/C14H21N3O3S/c1-10(15-2)11-5-3-6-12(9-11)21(19,20)17-13-7-4-8-16-14(13)18/h3,5-6,9-10,13,15,17H,4,7-8H2,1-2H3,(H,16,18)
InChIKeyPWTQBCZENCMXIZ-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.52
Rot. Bonds5

About 3-[1-(methylamino)ethyl]-N-(2-oxopiperidin-3-yl)benzenesulfonamide

3-[1-(methylamino)ethyl]-N-(2-oxopiperidin-3-yl)benzenesulfonamide (PubChem CID 62093994) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-[1-(methylamino)ethyl]-N-(2-oxopiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(methylamino)ethyl]-N-(2-oxopiperidin-3-yl)benzenesulfonamide
PubChem CID62093994
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name3-[1-(methylamino)ethyl]-N-(2-oxopiperidin-3-yl)benzenesulfonamide
SMILESCNC(C)c1cccc(S(=O)(=O)NC2CCCNC2=O)c1
InChIInChI=1S/C14H21N3O3S/c1-10(15-2)11-5-3-6-12(9-11)21(19,20)17-13-7-4-8-16-14(13)18/h3,5-6,9-10,13,15,17H,4,7-8H2,1-2H3,(H,16,18)
InChIKeyPWTQBCZENCMXIZ-UHFFFAOYSA-N
XLogP0.52
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457209
3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457165
3-[(2-oxopiperidin-3-yl)sulfamoyl]benzoic acid
CID 62091993
3-amino-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 62092532
4-bromo-3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 103697534
N-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 54761931
N-(cyclopropylmethyl)-3-[1-(methylamino)ethyl]benzenesulfonamide
CID 43506800
N-(2-oxopiperidin-3-yl)-2-(propylamino)pyridine-4-sulfonamide
CID 62146358
4-(2-aminoethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 79185146
3-[(2-oxopiperidin-3-yl)sulfamoyl]-N-pyridin-3-ylbenzamide
CID 74249952
3-[3-[1-(methylamino)ethyl]phenoxy]azepan-2-one
CID 43279877
3-amino-5-fluoro-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 116791797

Frequently Asked Questions

What is the IUPAC name of 3-[1-(methylamino)ethyl]-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 3-[1-(methylamino)ethyl]-N-(2-oxopiperidin-3-yl)benzenesulfonamide (CID 62093994) is 3-[1-(methylamino)ethyl]-N-(2-oxopiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-[1-(methylamino)ethyl]-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 3-[1-(methylamino)ethyl]-N-(2-oxopiperidin-3-yl)benzenesulfonamide is CNC(C)c1cccc(S(=O)(=O)NC2CCCNC2=O)c1.
What is the InChIKey of 3-[1-(methylamino)ethyl]-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The InChIKey is PWTQBCZENCMXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10(15-2)11-5-3-6-12(9-11)21(19,20)17-13-7-4-8-16-14(13)18/h3,5-6,9-10,13,15,17H,4,7-8H2,1-2H3,(H,16,18).
What are the key properties of 3-[1-(methylamino)ethyl]-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
3-[1-(methylamino)ethyl]-N-(2-oxopiperidin-3-yl)benzenesulfonamide has a molecular weight of 311.41 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(methylamino)ethyl]-N-(2-oxopiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 62093994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).