2-methyl-7-methylsulfonyl-4H-imidazo[2,1-c][1,4]benzothiazine

C12H12N2O2S2 — CID 139885159

IUPAC2-methyl-7-methylsulfonyl-4H-imidazo[2,1-c][1,4]benzothiazine
SMILESCc1cn2c(n1)CSc1cc(S(C)(=O)=O)ccc1-2
InChIInChI=1S/C12H12N2O2S2/c1-8-6-14-10-4-3-9(18(2,15)16)5-11(10)17-7-12(14)13-8/h3-6H,7H2,1-2H3
InChIKeyDYOZOGULWIOYGW-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.19
Rot. Bonds1

About 2-methyl-7-methylsulfonyl-4H-imidazo[2,1-c][1,4]benzothiazine

2-methyl-7-methylsulfonyl-4H-imidazo[2,1-c][1,4]benzothiazine (PubChem CID 139885159) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-methyl-7-methylsulfonyl-4H-imidazo[2,1-c][1,4]benzothiazine.

Molecular Properties

Compound Name2-methyl-7-methylsulfonyl-4H-imidazo[2,1-c][1,4]benzothiazine
PubChem CID139885159
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC Name2-methyl-7-methylsulfonyl-4H-imidazo[2,1-c][1,4]benzothiazine
SMILESCc1cn2c(n1)CSc1cc(S(C)(=O)=O)ccc1-2
InChIInChI=1S/C12H12N2O2S2/c1-8-6-14-10-4-3-9(18(2,15)16)5-11(10)17-7-12(14)13-8/h3-6H,7H2,1-2H3
InChIKeyDYOZOGULWIOYGW-UHFFFAOYSA-N
XLogP2.19
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 106558108
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ethane;6-methylsulfonylquinoxaline
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2-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-4-methyl-7-methylsulfonylquinazoline
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N-(furan-2-yl)-6-methylsulfonyl-2H-1,3-benzothiazole-3-carboxamide
CID 22474495
1-methyl-5-methylsulfonyl-2,3-dihydroindole
CID 90176022
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylsulfonylphenyl)ethanone
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1-(2-fluoro-4-methylsulfonylphenyl)pyrrolidine
CID 145473250
1-cyclopropyl-1-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)ethanamine
CID 81455811
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CID 81456723
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methylsulfonyl-1,3-benzothiazole
CID 121081825

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-methylsulfonyl-4H-imidazo[2,1-c][1,4]benzothiazine?
The IUPAC name of 2-methyl-7-methylsulfonyl-4H-imidazo[2,1-c][1,4]benzothiazine (CID 139885159) is 2-methyl-7-methylsulfonyl-4H-imidazo[2,1-c][1,4]benzothiazine.
What is the SMILES notation for 2-methyl-7-methylsulfonyl-4H-imidazo[2,1-c][1,4]benzothiazine?
The canonical SMILES for 2-methyl-7-methylsulfonyl-4H-imidazo[2,1-c][1,4]benzothiazine is Cc1cn2c(n1)CSc1cc(S(C)(=O)=O)ccc1-2.
What is the InChIKey of 2-methyl-7-methylsulfonyl-4H-imidazo[2,1-c][1,4]benzothiazine?
The InChIKey is DYOZOGULWIOYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c1-8-6-14-10-4-3-9(18(2,15)16)5-11(10)17-7-12(14)13-8/h3-6H,7H2,1-2H3.
What are the key properties of 2-methyl-7-methylsulfonyl-4H-imidazo[2,1-c][1,4]benzothiazine?
2-methyl-7-methylsulfonyl-4H-imidazo[2,1-c][1,4]benzothiazine has a molecular weight of 280.37 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-methylsulfonyl-4H-imidazo[2,1-c][1,4]benzothiazine is sourced from PubChem (CID 139885159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).