4-[(2R)-2,4-dimethyl-3-oxopiperazine-1-carbonyl]benzenesulfonamide

C13H17N3O4S — CID 95198052

IUPAC4-[(2R)-2,4-dimethyl-3-oxopiperazine-1-carbonyl]benzenesulfonamide
SMILESC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H17N3O4S/c1-9-12(17)15(2)7-8-16(9)13(18)10-3-5-11(6-4-10)21(14,19)20/h3-6,9H,7-8H2,1-2H3,(H2,14,19,20)/t9-/m1/s1
InChIKeyNBGARSZCCQDEIF-SECBINFHSA-N
MW311.36 g/mol
LogP-0.36
Rot. Bonds2

About 4-[(2R)-2,4-dimethyl-3-oxopiperazine-1-carbonyl]benzenesulfonamide

4-[(2R)-2,4-dimethyl-3-oxopiperazine-1-carbonyl]benzenesulfonamide (PubChem CID 95198052) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 4-[(2R)-2,4-dimethyl-3-oxopiperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2R)-2,4-dimethyl-3-oxopiperazine-1-carbonyl]benzenesulfonamide
PubChem CID95198052
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name4-[(2R)-2,4-dimethyl-3-oxopiperazine-1-carbonyl]benzenesulfonamide
SMILESC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H17N3O4S/c1-9-12(17)15(2)7-8-16(9)13(18)10-3-5-11(6-4-10)21(14,19)20/h3-6,9H,7-8H2,1-2H3,(H2,14,19,20)/t9-/m1/s1
InChIKeyNBGARSZCCQDEIF-SECBINFHSA-N
XLogP-0.36
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S)-2-(2-hydroxyethyl)-4-methylpiperazine-1-carbonyl]benzenesulfonamide
CID 166628741
N-[3-(2,4-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]acetamide
CID 110741190
(3R)-4-(1,2-dimethylpyrrole-3-carbonyl)-1,3-dimethylpiperazin-2-one
CID 124624591
(3S)-4-(1,2-dimethylpyrrole-3-carbonyl)-1,3-dimethylpiperazin-2-one
CID 124624590
(3R)-4-[4-(3-aminopropoxy)-3-chlorobenzoyl]-1,3-dimethylpiperazin-2-one
CID 125166515
1,3-dimethyl-4-(1-oxo-2,3-dihydroindene-4-carbonyl)piperazin-2-one
CID 131936356
4-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]benzenesulfonamide
CID 70722110
4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonamide
CID 82911782
(3R)-1,3-dimethyl-4-(2-phenylbenzoyl)piperazin-2-one
CID 95199734
4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide
CID 146048142
4-fluoro-3-[2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]benzenesulfonamide
CID 70716405
4-(2-pyridin-2-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 77093447

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2,4-dimethyl-3-oxopiperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-[(2R)-2,4-dimethyl-3-oxopiperazine-1-carbonyl]benzenesulfonamide (CID 95198052) is 4-[(2R)-2,4-dimethyl-3-oxopiperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2R)-2,4-dimethyl-3-oxopiperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-[(2R)-2,4-dimethyl-3-oxopiperazine-1-carbonyl]benzenesulfonamide is C[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(2R)-2,4-dimethyl-3-oxopiperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is NBGARSZCCQDEIF-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-9-12(17)15(2)7-8-16(9)13(18)10-3-5-11(6-4-10)21(14,19)20/h3-6,9H,7-8H2,1-2H3,(H2,14,19,20)/t9-/m1/s1.
What are the key properties of 4-[(2R)-2,4-dimethyl-3-oxopiperazine-1-carbonyl]benzenesulfonamide?
4-[(2R)-2,4-dimethyl-3-oxopiperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 311.36 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2,4-dimethyl-3-oxopiperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 95198052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).