5-methyl-N-(3-sulfamoylphenyl)piperazine-2-carboxamide

C12H18N4O3S — CID 63101675

IUPAC5-methyl-N-(3-sulfamoylphenyl)piperazine-2-carboxamide
SMILESCC1CNC(C(=O)Nc2cccc(S(N)(=O)=O)c2)CN1
InChIInChI=1S/C12H18N4O3S/c1-8-6-15-11(7-14-8)12(17)16-9-3-2-4-10(5-9)20(13,18)19/h2-5,8,11,14-15H,6-7H2,1H3,(H,16,17)(H2,13,18,19)
InChIKeyFEUUJHRDLBYBBU-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.78
Rot. Bonds3

About 5-methyl-N-(3-sulfamoylphenyl)piperazine-2-carboxamide

5-methyl-N-(3-sulfamoylphenyl)piperazine-2-carboxamide (PubChem CID 63101675) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-methyl-N-(3-sulfamoylphenyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-sulfamoylphenyl)piperazine-2-carboxamide
PubChem CID63101675
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name5-methyl-N-(3-sulfamoylphenyl)piperazine-2-carboxamide
SMILESCC1CNC(C(=O)Nc2cccc(S(N)(=O)=O)c2)CN1
InChIInChI=1S/C12H18N4O3S/c1-8-6-15-11(7-14-8)12(17)16-9-3-2-4-10(5-9)20(13,18)19/h2-5,8,11,14-15H,6-7H2,1H3,(H,16,17)(H2,13,18,19)
InChIKeyFEUUJHRDLBYBBU-UHFFFAOYSA-N
XLogP-0.78
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-sulfamoylphenyl)piperazine-2-carboxamide
CID 55177452
2-methyl-N-(3-sulfamoylphenyl)cyclopropane-1-carboxamide
CID 47101138
2-oxo-N-(3-sulfamoylphenyl)-1,3-thiazolidine-4-carboxamide
CID 61131241
trans-(1S,2S)-2-[(3-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93365685
N-(3-sulfamoylphenyl)cycloheptanecarboxamide
CID 62590757
3-methyl-N-(3-sulfamoylphenyl)oxolane-2-carboxamide
CID 81424664
4-amino-N-(3-sulfamoylphenyl)oxolane-3-carboxamide
CID 66239997
N-(3-sulfamoylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 60635841
N-(2,6-diethylphenyl)-5-methylpiperazine-2-carboxamide
CID 63102745
N-(3-fluoro-4-methoxyphenyl)-5-methylpiperazine-2-carboxamide
CID 63103656
N-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 54862152
4-hydroxy-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-2-carboxamide
CID 119864415

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-sulfamoylphenyl)piperazine-2-carboxamide?
The IUPAC name of 5-methyl-N-(3-sulfamoylphenyl)piperazine-2-carboxamide (CID 63101675) is 5-methyl-N-(3-sulfamoylphenyl)piperazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-sulfamoylphenyl)piperazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-(3-sulfamoylphenyl)piperazine-2-carboxamide is CC1CNC(C(=O)Nc2cccc(S(N)(=O)=O)c2)CN1.
What is the InChIKey of 5-methyl-N-(3-sulfamoylphenyl)piperazine-2-carboxamide?
The InChIKey is FEUUJHRDLBYBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-8-6-15-11(7-14-8)12(17)16-9-3-2-4-10(5-9)20(13,18)19/h2-5,8,11,14-15H,6-7H2,1H3,(H,16,17)(H2,13,18,19).
What are the key properties of 5-methyl-N-(3-sulfamoylphenyl)piperazine-2-carboxamide?
5-methyl-N-(3-sulfamoylphenyl)piperazine-2-carboxamide has a molecular weight of 298.37 g/mol, XLogP of -0.78, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-sulfamoylphenyl)piperazine-2-carboxamide is sourced from PubChem (CID 63101675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).