2-amino-N-methyl-4-(3-oxopiperazin-1-yl)benzenesulfonamide

C11H16N4O3S — CID 80646358

IUPAC2-amino-N-methyl-4-(3-oxopiperazin-1-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCNC(=O)C2)cc1N
InChIInChI=1S/C11H16N4O3S/c1-13-19(17,18)10-3-2-8(6-9(10)12)15-5-4-14-11(16)7-15/h2-3,6,13H,4-5,7,12H2,1H3,(H,14,16)
InChIKeyIKFWLZVYQKBCKY-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.89
Rot. Bonds3

About 2-amino-N-methyl-4-(3-oxopiperazin-1-yl)benzenesulfonamide

2-amino-N-methyl-4-(3-oxopiperazin-1-yl)benzenesulfonamide (PubChem CID 80646358) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-amino-N-methyl-4-(3-oxopiperazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-(3-oxopiperazin-1-yl)benzenesulfonamide
PubChem CID80646358
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name2-amino-N-methyl-4-(3-oxopiperazin-1-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCNC(=O)C2)cc1N
InChIInChI=1S/C11H16N4O3S/c1-13-19(17,18)10-3-2-8(6-9(10)12)15-5-4-14-11(16)7-15/h2-3,6,13H,4-5,7,12H2,1H3,(H,14,16)
InChIKeyIKFWLZVYQKBCKY-UHFFFAOYSA-N
XLogP-0.89
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-methyl-4-(5-oxo-1,4-diazepan-1-yl)benzenesulfonamide
CID 80646515
2-amino-4-(azepan-1-yl)-N-methylbenzenesulfonamide
CID 80646144
2-amino-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 80645856
2-amino-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenesulfonamide
CID 80641354
2-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-methylbenzenesulfonamide
CID 103355271
2-amino-4-(3,3-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide
CID 80645810
2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide
CID 80645527
2-methylsulfonyl-5-piperazin-1-ylaniline
CID 86607660
4-[3-chloro-4-(methylaminomethyl)phenyl]piperazin-2-one
CID 114064599
2-amino-4-piperazin-1-ylbenzenesulfonamide
CID 79466445
2-amino-N-methyl-4-(2,2,6-trimethylmorpholin-4-yl)benzenesulfonamide
CID 80640866
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-N-methylbenzenesulfonamide
CID 80641981

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-(3-oxopiperazin-1-yl)benzenesulfonamide?
The IUPAC name of 2-amino-N-methyl-4-(3-oxopiperazin-1-yl)benzenesulfonamide (CID 80646358) is 2-amino-N-methyl-4-(3-oxopiperazin-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-methyl-4-(3-oxopiperazin-1-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-methyl-4-(3-oxopiperazin-1-yl)benzenesulfonamide is CNS(=O)(=O)c1ccc(N2CCNC(=O)C2)cc1N.
What is the InChIKey of 2-amino-N-methyl-4-(3-oxopiperazin-1-yl)benzenesulfonamide?
The InChIKey is IKFWLZVYQKBCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-13-19(17,18)10-3-2-8(6-9(10)12)15-5-4-14-11(16)7-15/h2-3,6,13H,4-5,7,12H2,1H3,(H,14,16).
What are the key properties of 2-amino-N-methyl-4-(3-oxopiperazin-1-yl)benzenesulfonamide?
2-amino-N-methyl-4-(3-oxopiperazin-1-yl)benzenesulfonamide has a molecular weight of 284.34 g/mol, XLogP of -0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-(3-oxopiperazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 80646358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).