2-methyl-1,1-dioxo-3H-1,3-benzothiazole-2-carboxamide

C9H10N2O3S — CID 151760838

IUPAC2-methyl-1,1-dioxo-3H-1,3-benzothiazole-2-carboxamide
SMILESCC1(C(N)=O)Nc2ccccc2S1(=O)=O
InChIInChI=1S/C9H10N2O3S/c1-9(8(10)12)11-6-4-2-3-5-7(6)15(9,13)14/h2-5,11H,1H3,(H2,10,12)
InChIKeyRQNGGXQMMVPHQL-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.09
Rot. Bonds1

About 2-methyl-1,1-dioxo-3H-1,3-benzothiazole-2-carboxamide

2-methyl-1,1-dioxo-3H-1,3-benzothiazole-2-carboxamide (PubChem CID 151760838) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 2-methyl-1,1-dioxo-3H-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound Name2-methyl-1,1-dioxo-3H-1,3-benzothiazole-2-carboxamide
PubChem CID151760838
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name2-methyl-1,1-dioxo-3H-1,3-benzothiazole-2-carboxamide
SMILESCC1(C(N)=O)Nc2ccccc2S1(=O)=O
InChIInChI=1S/C9H10N2O3S/c1-9(8(10)12)11-6-4-2-3-5-7(6)15(9,13)14/h2-5,11H,1H3,(H2,10,12)
InChIKeyRQNGGXQMMVPHQL-UHFFFAOYSA-N
XLogP0.09
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-carbamoyl-1,3-dihydrobenzimidazole-2-carboxylic acid
CID 68790453
2,3,3-trimethyl-1H-indole-2-carboxamide
CID 169059074
3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxamide
CID 140737605
1,1-dioxo-2,3-dihydro-1,3-benzothiazole-2-carboxamide
CID 152537696
spiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide
CID 115096856
2-(3,3-dimethyl-2-oxo-4H-quinoxalin-1-yl)acetic acid
CID 82157084
1,1-dioxo-3H-1,3-benzothiazol-2-one;ethane
CID 123564256
2-(4-acetylphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
CID 7245959
1,1-dioxospiro[4H-1λ6,4-benzothiazine-2,1'-cyclobutane]-3-one
CID 115097213
2,2-dimethyl-1,1-dioxo-3,4-dihydro-1λ6,4-benzothiazine-5-carboxylic acid
CID 115096554
4-hydroxy-2-oxo-4-phenyl-6-oxa-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 85145045
3-phenyl-4H-1lambda6,4-benzothiazine 1,1-dioxide
CID 12695092

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,1-dioxo-3H-1,3-benzothiazole-2-carboxamide?
The IUPAC name of 2-methyl-1,1-dioxo-3H-1,3-benzothiazole-2-carboxamide (CID 151760838) is 2-methyl-1,1-dioxo-3H-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for 2-methyl-1,1-dioxo-3H-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for 2-methyl-1,1-dioxo-3H-1,3-benzothiazole-2-carboxamide is CC1(C(N)=O)Nc2ccccc2S1(=O)=O.
What is the InChIKey of 2-methyl-1,1-dioxo-3H-1,3-benzothiazole-2-carboxamide?
The InChIKey is RQNGGXQMMVPHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-9(8(10)12)11-6-4-2-3-5-7(6)15(9,13)14/h2-5,11H,1H3,(H2,10,12).
What are the key properties of 2-methyl-1,1-dioxo-3H-1,3-benzothiazole-2-carboxamide?
2-methyl-1,1-dioxo-3H-1,3-benzothiazole-2-carboxamide has a molecular weight of 226.26 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,1-dioxo-3H-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 151760838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).