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

C11H16N4O3S — CID 112674906

IUPAC2-amino-3-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide
SMILESNc1c(NC2CCC(=O)NC2)cccc1S(N)(=O)=O
InChIInChI=1S/C11H16N4O3S/c12-11-8(2-1-3-9(11)19(13,17)18)15-7-4-5-10(16)14-6-7/h1-3,7,15H,4-6,12H2,(H,14,16)(H2,13,17,18)
InChIKeyRPWYMEYUWRXCSY-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.39
Rot. Bonds3

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

2-amino-3-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide (PubChem CID 112674906) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-amino-3-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide
PubChem CID112674906
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name2-amino-3-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide
SMILESNc1c(NC2CCC(=O)NC2)cccc1S(N)(=O)=O
InChIInChI=1S/C11H16N4O3S/c12-11-8(2-1-3-9(11)19(13,17)18)15-7-4-5-10(16)14-6-7/h1-3,7,15H,4-6,12H2,(H,14,16)(H2,13,17,18)
InChIKeyRPWYMEYUWRXCSY-UHFFFAOYSA-N
XLogP-0.39
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
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-3-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide?
The IUPAC name of 2-amino-3-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide (CID 112674906) is 2-amino-3-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-3-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide?
The canonical SMILES for 2-amino-3-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide is Nc1c(NC2CCC(=O)NC2)cccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-3-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide?
The InChIKey is RPWYMEYUWRXCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c12-11-8(2-1-3-9(11)19(13,17)18)15-7-4-5-10(16)14-6-7/h1-3,7,15H,4-6,12H2,(H,14,16)(H2,13,17,18).
What are the key properties of 2-amino-3-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide?
2-amino-3-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide has a molecular weight of 284.34 g/mol, XLogP of -0.39, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 112674906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).