2-methyl-4-(methylamino)-1,1-dioxo-1,2-benzothiazol-3-one

C9H10N2O3S — CID 117003884

IUPAC2-methyl-4-(methylamino)-1,1-dioxo-1,2-benzothiazol-3-one
SMILESCNc1cccc2c1C(=O)N(C)S2(=O)=O
InChIInChI=1S/C9H10N2O3S/c1-10-6-4-3-5-7-8(6)9(12)11(2)15(7,13)14/h3-5,10H,1-2H3
InChIKeyGAKIMKRIIKCSGE-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.50
Rot. Bonds1

About 2-methyl-4-(methylamino)-1,1-dioxo-1,2-benzothiazol-3-one

2-methyl-4-(methylamino)-1,1-dioxo-1,2-benzothiazol-3-one (PubChem CID 117003884) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 2-methyl-4-(methylamino)-1,1-dioxo-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-methyl-4-(methylamino)-1,1-dioxo-1,2-benzothiazol-3-one
PubChem CID117003884
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name2-methyl-4-(methylamino)-1,1-dioxo-1,2-benzothiazol-3-one
SMILESCNc1cccc2c1C(=O)N(C)S2(=O)=O
InChIInChI=1S/C9H10N2O3S/c1-10-6-4-3-5-7-8(6)9(12)11(2)15(7,13)14/h3-5,10H,1-2H3
InChIKeyGAKIMKRIIKCSGE-UHFFFAOYSA-N
XLogP0.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-(methylamino)-1,1-dioxo-1,2-benzothiazol-3-one
CID 117003893
4-(methylamino)-2-pentylisoindole-1,3-dione
CID 117006093
2-methyl-1,1-dioxo-1λ6,4,2-benzothiaselenazin-3-one
CID 10923818
N-methyl-2-(4-methylpiperazin-1-yl)sulfonylaniline
CID 62148456
N-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline
CID 79165858
5-chloro-2-methyl-1,1-dioxo-[1,2]thiazolo[4,5-b]pyridin-3-one
CID 177003358
1-methyl-5-(methylamino)quinolin-2-one
CID 138477987
4-fluoro-2-hydroxy-1,1-dioxo-1,2-benzothiazol-3-one
CID 174810630
2-(chloromethyl)-4-ethyl-1,1-dioxo-1,2-benzothiazol-3-one
CID 70046454
(4Z)-4-[hydroxy(propan-2-yloxy)methylidene]-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-3-one
CID 134112428
2,2,11,11-tetraoxo-2λ6,11λ6-dithia-1,3-diazatricyclo[6.2.1.04,9]undeca-4(9),5,7-trien-10-one
CID 141013282
6-methyl-5,5-dioxoindeno[1,2-c][1,2]benzothiazin-11-one
CID 138593696

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(methylamino)-1,1-dioxo-1,2-benzothiazol-3-one?
The IUPAC name of 2-methyl-4-(methylamino)-1,1-dioxo-1,2-benzothiazol-3-one (CID 117003884) is 2-methyl-4-(methylamino)-1,1-dioxo-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-methyl-4-(methylamino)-1,1-dioxo-1,2-benzothiazol-3-one?
The canonical SMILES for 2-methyl-4-(methylamino)-1,1-dioxo-1,2-benzothiazol-3-one is CNc1cccc2c1C(=O)N(C)S2(=O)=O.
What is the InChIKey of 2-methyl-4-(methylamino)-1,1-dioxo-1,2-benzothiazol-3-one?
The InChIKey is GAKIMKRIIKCSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-10-6-4-3-5-7-8(6)9(12)11(2)15(7,13)14/h3-5,10H,1-2H3.
What are the key properties of 2-methyl-4-(methylamino)-1,1-dioxo-1,2-benzothiazol-3-one?
2-methyl-4-(methylamino)-1,1-dioxo-1,2-benzothiazol-3-one has a molecular weight of 226.26 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(methylamino)-1,1-dioxo-1,2-benzothiazol-3-one is sourced from PubChem (CID 117003884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).