3-amino-5-(2-methyl-3-oxopiperazin-1-yl)benzenesulfonamide

C11H16N4O3S — CID 63597015

IUPAC3-amino-5-(2-methyl-3-oxopiperazin-1-yl)benzenesulfonamide
SMILESCC1C(=O)NCCN1c1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C11H16N4O3S/c1-7-11(16)14-2-3-15(7)9-4-8(12)5-10(6-9)19(13,17)18/h4-7H,2-3,12H2,1H3,(H,14,16)(H2,13,17,18)
InChIKeyIORULSSOQBLANE-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.76
Rot. Bonds2

About 3-amino-5-(2-methyl-3-oxopiperazin-1-yl)benzenesulfonamide

3-amino-5-(2-methyl-3-oxopiperazin-1-yl)benzenesulfonamide (PubChem CID 63597015) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-amino-5-(2-methyl-3-oxopiperazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-(2-methyl-3-oxopiperazin-1-yl)benzenesulfonamide
PubChem CID63597015
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name3-amino-5-(2-methyl-3-oxopiperazin-1-yl)benzenesulfonamide
SMILESCC1C(=O)NCCN1c1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C11H16N4O3S/c1-7-11(16)14-2-3-15(7)9-4-8(12)5-10(6-9)19(13,17)18/h4-7H,2-3,12H2,1H3,(H,14,16)(H2,13,17,18)
InChIKeyIORULSSOQBLANE-UHFFFAOYSA-N
XLogP-0.76
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.76
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

3-amino-5-(2,2-dimethyl-3-oxopiperazin-1-yl)benzenesulfonamide
CID 63595984
4-[4-amino-2-(difluoromethyl)phenyl]-3-methylpiperazin-2-one
CID 63735832
3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzenesulfonamide
CID 63361950
4-(4-amino-2,6-dimethylphenyl)sulfonyl-3-methylpiperazin-2-one
CID 79589199
4-(3-amino-5-methylphenyl)-3-ethylpiperazin-2-one
CID 112647787
4-[3-(aminomethyl)phenyl]-3-methylpiperazin-2-one
CID 102813996
3-amino-5-(5-ethyl-2-methylmorpholin-4-yl)benzenesulfonamide
CID 60988371
1-(3-amino-5-sulfamoylphenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60988372
5-amino-2-(2-methyl-3-oxopiperazin-1-yl)benzonitrile
CID 55215923
4-(4-acetylphenyl)-3-methylpiperazin-2-one
CID 55216694
3-amino-5-(4-cyclopropylpiperazin-1-yl)benzenesulfonamide
CID 61440515
5-amino-3-(2-ethyl-3-oxopiperazin-1-yl)-2-methylbenzenesulfonamide
CID 79901277

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-methyl-3-oxopiperazin-1-yl)benzenesulfonamide?
The IUPAC name of 3-amino-5-(2-methyl-3-oxopiperazin-1-yl)benzenesulfonamide (CID 63597015) is 3-amino-5-(2-methyl-3-oxopiperazin-1-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-(2-methyl-3-oxopiperazin-1-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-(2-methyl-3-oxopiperazin-1-yl)benzenesulfonamide is CC1C(=O)NCCN1c1cc(N)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-amino-5-(2-methyl-3-oxopiperazin-1-yl)benzenesulfonamide?
The InChIKey is IORULSSOQBLANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-7-11(16)14-2-3-15(7)9-4-8(12)5-10(6-9)19(13,17)18/h4-7H,2-3,12H2,1H3,(H,14,16)(H2,13,17,18).
What are the key properties of 3-amino-5-(2-methyl-3-oxopiperazin-1-yl)benzenesulfonamide?
3-amino-5-(2-methyl-3-oxopiperazin-1-yl)benzenesulfonamide has a molecular weight of 284.34 g/mol, XLogP of -0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-methyl-3-oxopiperazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 63597015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).