4-[1-(methylamino)ethyl]-N-(6-oxopiperidin-3-yl)benzenesulfonamide

C14H21N3O3S — CID 63662849

IUPAC4-[1-(methylamino)ethyl]-N-(6-oxopiperidin-3-yl)benzenesulfonamide
SMILESCNC(C)c1ccc(S(=O)(=O)NC2CCC(=O)NC2)cc1
InChIInChI=1S/C14H21N3O3S/c1-10(15-2)11-3-6-13(7-4-11)21(19,20)17-12-5-8-14(18)16-9-12/h3-4,6-7,10,12,15,17H,5,8-9H2,1-2H3,(H,16,18)
InChIKeyXMJWFFFMLRURQY-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.52
Rot. Bonds5

About 4-[1-(methylamino)ethyl]-N-(6-oxopiperidin-3-yl)benzenesulfonamide

4-[1-(methylamino)ethyl]-N-(6-oxopiperidin-3-yl)benzenesulfonamide (PubChem CID 63662849) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-[1-(methylamino)ethyl]-N-(6-oxopiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(methylamino)ethyl]-N-(6-oxopiperidin-3-yl)benzenesulfonamide
PubChem CID63662849
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name4-[1-(methylamino)ethyl]-N-(6-oxopiperidin-3-yl)benzenesulfonamide
SMILESCNC(C)c1ccc(S(=O)(=O)NC2CCC(=O)NC2)cc1
InChIInChI=1S/C14H21N3O3S/c1-10(15-2)11-3-6-13(7-4-11)21(19,20)17-12-5-8-14(18)16-9-12/h3-4,6-7,10,12,15,17H,5,8-9H2,1-2H3,(H,16,18)
InChIKeyXMJWFFFMLRURQY-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

4-bromo-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 62490790
4-(3-methylbutyl)-N-[(3R)-6-oxopiperidin-3-yl]benzenesulfonamide
CID 95628967
5-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-2-one
CID 55246437
2-(methylamino)-N-(6-oxopiperidin-3-yl)pyridine-4-sulfonamide
CID 63661990
4-[1-(methylamino)ethyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61465032
N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 63662802
3-(1-hydroxypropyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 63662505
3-N-(6-oxopiperidin-3-yl)benzene-1,3-disulfonamide
CID 62491456
6-hydrazinyl-N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 63661604
5-(4-methylsulfonylanilino)piperidin-2-one
CID 63662482
1-methyl-4-[(6-oxopiperidin-3-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 63663509
4-butan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55068886

Frequently Asked Questions

What is the IUPAC name of 4-[1-(methylamino)ethyl]-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-[1-(methylamino)ethyl]-N-(6-oxopiperidin-3-yl)benzenesulfonamide (CID 63662849) is 4-[1-(methylamino)ethyl]-N-(6-oxopiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-[1-(methylamino)ethyl]-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-[1-(methylamino)ethyl]-N-(6-oxopiperidin-3-yl)benzenesulfonamide is CNC(C)c1ccc(S(=O)(=O)NC2CCC(=O)NC2)cc1.
What is the InChIKey of 4-[1-(methylamino)ethyl]-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
The InChIKey is XMJWFFFMLRURQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10(15-2)11-3-6-13(7-4-11)21(19,20)17-12-5-8-14(18)16-9-12/h3-4,6-7,10,12,15,17H,5,8-9H2,1-2H3,(H,16,18).
What are the key properties of 4-[1-(methylamino)ethyl]-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
4-[1-(methylamino)ethyl]-N-(6-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 4-[1-(methylamino)ethyl]-N-(6-oxopiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 63662849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).