4-(2-aminoethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide

C13H19N3O3S — CID 79185146

IUPAC4-(2-aminoethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide
SMILESNCCc1ccc(S(=O)(=O)NC2CCCNC2=O)cc1
InChIInChI=1S/C13H19N3O3S/c14-8-7-10-3-5-11(6-4-10)20(18,19)16-12-2-1-9-15-13(12)17/h3-6,12,16H,1-2,7-9,14H2,(H,15,17)
InChIKeyYVYYHANBPCLOBC-UHFFFAOYSA-N
MW297.38 g/mol
LogP-0.26
Rot. Bonds5

About 4-(2-aminoethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide

4-(2-aminoethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide (PubChem CID 79185146) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide
PubChem CID79185146
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name4-(2-aminoethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide
SMILESNCCc1ccc(S(=O)(=O)NC2CCCNC2=O)cc1
InChIInChI=1S/C13H19N3O3S/c14-8-7-10-3-5-11(6-4-10)20(18,19)16-12-2-1-9-15-13(12)17/h3-6,12,16H,1-2,7-9,14H2,(H,15,17)
InChIKeyYVYYHANBPCLOBC-UHFFFAOYSA-N
XLogP-0.26
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyanomethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 79195462
N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457209
N-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 54761931
4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide
CID 16643216
3-amino-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 62092532
4-bromo-3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 103697534
2-fluoro-5-[(2-oxopiperidin-3-yl)sulfamoyl]benzenecarbothioamide
CID 63288833
3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457165
N-(2-oxoazepan-3-yl)-4-pyrazol-1-ylbenzenesulfonamide
CID 3770703
3-amino-5-fluoro-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 116791797
N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 62145648
N-(2-oxopiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 49457204

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-(2-aminoethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide (CID 79185146) is 4-(2-aminoethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide is NCCc1ccc(S(=O)(=O)NC2CCCNC2=O)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
The InChIKey is YVYYHANBPCLOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c14-8-7-10-3-5-11(6-4-10)20(18,19)16-12-2-1-9-15-13(12)17/h3-6,12,16H,1-2,7-9,14H2,(H,15,17).
What are the key properties of 4-(2-aminoethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide?
4-(2-aminoethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide has a molecular weight of 297.38 g/mol, XLogP of -0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 79185146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).