1-(2-methyl-1-sulfamoylpropan-2-yl)cyclohexa-3,5-diene-1,2-dicarboxamide

C12H19N3O4S — CID 174428979

IUPAC1-(2-methyl-1-sulfamoylpropan-2-yl)cyclohexa-3,5-diene-1,2-dicarboxamide
SMILESCC(C)(CS(N)(=O)=O)C1(C(N)=O)C=CC=CC1C(N)=O
InChIInChI=1S/C12H19N3O4S/c1-11(2,7-20(15,18)19)12(10(14)17)6-4-3-5-8(12)9(13)16/h3-6,8H,7H2,1-2H3,(H2,13,16)(H2,14,17)(H2,15,18,19)
InChIKeyKKTXEBQKZNJVSK-UHFFFAOYSA-N
MW301.37 g/mol
LogP-1.00
Rot. Bonds5

About 1-(2-methyl-1-sulfamoylpropan-2-yl)cyclohexa-3,5-diene-1,2-dicarboxamide

1-(2-methyl-1-sulfamoylpropan-2-yl)cyclohexa-3,5-diene-1,2-dicarboxamide (PubChem CID 174428979) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-(2-methyl-1-sulfamoylpropan-2-yl)cyclohexa-3,5-diene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-(2-methyl-1-sulfamoylpropan-2-yl)cyclohexa-3,5-diene-1,2-dicarboxamide
PubChem CID174428979
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name1-(2-methyl-1-sulfamoylpropan-2-yl)cyclohexa-3,5-diene-1,2-dicarboxamide
SMILESCC(C)(CS(N)(=O)=O)C1(C(N)=O)C=CC=CC1C(N)=O
InChIInChI=1S/C12H19N3O4S/c1-11(2,7-20(15,18)19)12(10(14)17)6-4-3-5-8(12)9(13)16/h3-6,8H,7H2,1-2H3,(H2,13,16)(H2,14,17)(H2,15,18,19)
InChIKeyKKTXEBQKZNJVSK-UHFFFAOYSA-N
XLogP-1.00
TPSA146.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-sulfamoylpropan-2-yl)cyclohexa-3,5-diene-1,2-dicarboxamide?
The IUPAC name of 1-(2-methyl-1-sulfamoylpropan-2-yl)cyclohexa-3,5-diene-1,2-dicarboxamide (CID 174428979) is 1-(2-methyl-1-sulfamoylpropan-2-yl)cyclohexa-3,5-diene-1,2-dicarboxamide.
What is the SMILES notation for 1-(2-methyl-1-sulfamoylpropan-2-yl)cyclohexa-3,5-diene-1,2-dicarboxamide?
The canonical SMILES for 1-(2-methyl-1-sulfamoylpropan-2-yl)cyclohexa-3,5-diene-1,2-dicarboxamide is CC(C)(CS(N)(=O)=O)C1(C(N)=O)C=CC=CC1C(N)=O.
What is the InChIKey of 1-(2-methyl-1-sulfamoylpropan-2-yl)cyclohexa-3,5-diene-1,2-dicarboxamide?
The InChIKey is KKTXEBQKZNJVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-11(2,7-20(15,18)19)12(10(14)17)6-4-3-5-8(12)9(13)16/h3-6,8H,7H2,1-2H3,(H2,13,16)(H2,14,17)(H2,15,18,19).
What are the key properties of 1-(2-methyl-1-sulfamoylpropan-2-yl)cyclohexa-3,5-diene-1,2-dicarboxamide?
1-(2-methyl-1-sulfamoylpropan-2-yl)cyclohexa-3,5-diene-1,2-dicarboxamide has a molecular weight of 301.37 g/mol, XLogP of -1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-sulfamoylpropan-2-yl)cyclohexa-3,5-diene-1,2-dicarboxamide is sourced from PubChem (CID 174428979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).