4-methyl-2-(methylsulfonylmethylsulfonylamino)-1,3-thiazole-5-sulfonamide

C6H11N3O6S4 — CID 82842347

IUPAC4-methyl-2-(methylsulfonylmethylsulfonylamino)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(NS(=O)(=O)CS(C)(=O)=O)sc1S(N)(=O)=O
InChIInChI=1S/C6H11N3O6S4/c1-4-5(19(7,14)15)16-6(8-4)9-18(12,13)3-17(2,10)11/h3H2,1-2H3,(H,8,9)(H2,7,14,15)
InChIKeyKCCAZULVNRXCJL-UHFFFAOYSA-N
MW349.44 g/mol
LogP-1.16
Rot. Bonds5

About 4-methyl-2-(methylsulfonylmethylsulfonylamino)-1,3-thiazole-5-sulfonamide

4-methyl-2-(methylsulfonylmethylsulfonylamino)-1,3-thiazole-5-sulfonamide (PubChem CID 82842347) has the molecular formula C6H11N3O6S4 and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-methyl-2-(methylsulfonylmethylsulfonylamino)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-(methylsulfonylmethylsulfonylamino)-1,3-thiazole-5-sulfonamide
PubChem CID82842347
Molecular FormulaC6H11N3O6S4
Molecular Weight349.44 g/mol
Exact Mass348.95
IUPAC Name4-methyl-2-(methylsulfonylmethylsulfonylamino)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(NS(=O)(=O)CS(C)(=O)=O)sc1S(N)(=O)=O
InChIInChI=1S/C6H11N3O6S4/c1-4-5(19(7,14)15)16-6(8-4)9-18(12,13)3-17(2,10)11/h3H2,1-2H3,(H,8,9)(H2,7,14,15)
InChIKeyKCCAZULVNRXCJL-UHFFFAOYSA-N
XLogP-1.16
TPSA153.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3,3-dimethylbutylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide
CID 103521341
2-(difluoromethylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide
CID 63947257
2-(cyclopropylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide
CID 64553272
2-[(2-chlorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63946233
4-methyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide
CID 114271025
4-methyl-2-(pyridin-3-ylsulfonylamino)-1,3-thiazole-5-sulfonamide
CID 63944661
1-methylsulfonyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide
CID 82842459
(2R)-4-methyl-2-[(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)amino]pentanoic acid
CID 122049266
4-methyl-5-methylsulfonyl-1,3-thiazol-2-amine
CID 91306499
2-cycloheptyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide
CID 114458264
4-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-sulfonamide
CID 167900557
N-(4-acetyl-1,3-thiazol-2-yl)-1-methylsulfonylmethanesulfonamide
CID 82842542

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylsulfonylmethylsulfonylamino)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-2-(methylsulfonylmethylsulfonylamino)-1,3-thiazole-5-sulfonamide (CID 82842347) is 4-methyl-2-(methylsulfonylmethylsulfonylamino)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-2-(methylsulfonylmethylsulfonylamino)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-2-(methylsulfonylmethylsulfonylamino)-1,3-thiazole-5-sulfonamide is Cc1nc(NS(=O)(=O)CS(C)(=O)=O)sc1S(N)(=O)=O.
What is the InChIKey of 4-methyl-2-(methylsulfonylmethylsulfonylamino)-1,3-thiazole-5-sulfonamide?
The InChIKey is KCCAZULVNRXCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O6S4/c1-4-5(19(7,14)15)16-6(8-4)9-18(12,13)3-17(2,10)11/h3H2,1-2H3,(H,8,9)(H2,7,14,15).
What are the key properties of 4-methyl-2-(methylsulfonylmethylsulfonylamino)-1,3-thiazole-5-sulfonamide?
4-methyl-2-(methylsulfonylmethylsulfonylamino)-1,3-thiazole-5-sulfonamide has a molecular weight of 349.44 g/mol, XLogP of -1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylsulfonylmethylsulfonylamino)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 82842347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).