CID 67714775

C10H12MgN2O3S — CID 67714775

IUPAC—
SMILESCC(C)N1C(=O)c2ccccc2NS1(=O)=O.[Mg]
InChIInChI=1S/C10H12N2O3S.Mg/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7,11H,1-2H3;
InChIKeyNPIVNUOEMOAFBN-UHFFFAOYSA-N
MW264.59 g/mol
LogP0.83
Rot. Bonds1

About CID 67714775

CID 67714775 (PubChem CID 67714775) has the molecular formula C10H12MgN2O3S and a molecular weight of 264.59 g/mol.

Molecular Properties

Compound NameCID 67714775
PubChem CID67714775
Molecular FormulaC10H12MgN2O3S
Molecular Weight264.59 g/mol
Exact Mass264.04
IUPAC Name—
SMILESCC(C)N1C(=O)c2ccccc2NS1(=O)=O.[Mg]
InChIInChI=1S/C10H12N2O3S.Mg/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7,11H,1-2H3;
InChIKeyNPIVNUOEMOAFBN-UHFFFAOYSA-N
XLogP0.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.59
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

calcium 2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one
CID 19955421
potassium;2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one;hydride
CID 173283620
1-deuterio-2,2-dioxo-3-propan-2-yl-2λ6,1,3-benzothiadiazin-4-one
CID 138395997
6-bromo-2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one
CID 139597486
2,2-dioxo-3-propan-2-yl-7-(trifluoromethyl)-1H-2λ6,1,3-benzothiadiazin-4-one
CID 22768183
8-ethyl-2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one
CID 22768196
2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one;5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
CID 67865097
potassium 2,2-dioxo-3-propan-2-yl-2λ6,1,3-benzothiadiazin-1-id-4-one
CID 20563508
sodium 2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-1-id-4-one
CID 13124860
3-(2-methylpropyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide
CID 59120401
7-amino-1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one
CID 117003872
1-benzyl-2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-4-one
CID 2825491

Frequently Asked Questions

What is the IUPAC name of CID 67714775?
The IUPAC name of CID 67714775 (CID 67714775) is not available.
What is the SMILES notation for CID 67714775?
The canonical SMILES for CID 67714775 is CC(C)N1C(=O)c2ccccc2NS1(=O)=O.[Mg].
What is the InChIKey of CID 67714775?
The InChIKey is NPIVNUOEMOAFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S.Mg/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7,11H,1-2H3;.
What are the key properties of CID 67714775?
CID 67714775 has a molecular weight of 264.59 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67714775 is sourced from PubChem (CID 67714775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).