2-amino-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide

C12H18N4O3S — CID 79466811

IUPAC2-amino-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide
SMILESCN1CC(Nc2ccc(S(N)(=O)=O)c(N)c2)CCC1=O
InChIInChI=1S/C12H18N4O3S/c1-16-7-9(3-5-12(16)17)15-8-2-4-11(10(13)6-8)20(14,18)19/h2,4,6,9,15H,3,5,7,13H2,1H3,(H2,14,18,19)
InChIKeyQVGRFCPXJLNOOH-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.05
Rot. Bonds3

About 2-amino-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide

2-amino-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide (PubChem CID 79466811) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-amino-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide
PubChem CID79466811
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name2-amino-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide
SMILESCN1CC(Nc2ccc(S(N)(=O)=O)c(N)c2)CCC1=O
InChIInChI=1S/C12H18N4O3S/c1-16-7-9(3-5-12(16)17)15-8-2-4-11(10(13)6-8)20(14,18)19/h2,4,6,9,15H,3,5,7,13H2,1H3,(H2,14,18,19)
InChIKeyQVGRFCPXJLNOOH-UHFFFAOYSA-N
XLogP-0.05
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide?
The IUPAC name of 2-amino-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide (CID 79466811) is 2-amino-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide?
The canonical SMILES for 2-amino-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide is CN1CC(Nc2ccc(S(N)(=O)=O)c(N)c2)CCC1=O.
What is the InChIKey of 2-amino-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide?
The InChIKey is QVGRFCPXJLNOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-16-7-9(3-5-12(16)17)15-8-2-4-11(10(13)6-8)20(14,18)19/h2,4,6,9,15H,3,5,7,13H2,1H3,(H2,14,18,19).
What are the key properties of 2-amino-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide?
2-amino-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide has a molecular weight of 298.37 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 79466811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).