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

C10H19N3O4S3 — CID 103521341

IUPAC2-(3,3-dimethylbutylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(NS(=O)(=O)CCC(C)(C)C)sc1S(N)(=O)=O
InChIInChI=1S/C10H19N3O4S3/c1-7-8(20(11,16)17)18-9(12-7)13-19(14,15)6-5-10(2,3)4/h5-6H2,1-4H3,(H,12,13)(H2,11,16,17)
InChIKeyIBCYNHJOIFYCOY-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.28
Rot. Bonds5

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

2-(3,3-dimethylbutylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103521341) has the molecular formula C10H19N3O4S3 and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-(3,3-dimethylbutylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-(3,3-dimethylbutylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103521341
Molecular FormulaC10H19N3O4S3
Molecular Weight341.48 g/mol
Exact Mass341.05
IUPAC Name2-(3,3-dimethylbutylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(NS(=O)(=O)CCC(C)(C)C)sc1S(N)(=O)=O
InChIInChI=1S/C10H19N3O4S3/c1-7-8(20(11,16)17)18-9(12-7)13-19(14,15)6-5-10(2,3)4/h5-6H2,1-4H3,(H,12,13)(H2,11,16,17)
InChIKeyIBCYNHJOIFYCOY-UHFFFAOYSA-N
XLogP1.28
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-(methylsulfonylmethylsulfonylamino)-1,3-thiazole-5-sulfonamide
CID 82842347
2-(difluoromethylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide
CID 63947257
4-methyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide
CID 114271025
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-(pyridin-3-ylsulfonylamino)-1,3-thiazole-5-sulfonamide
CID 63944661
(2R)-4-methyl-2-[(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)amino]pentanoic acid
CID 122049266
3-(3,3-dimethylbutylsulfonylamino)benzenesulfonamide
CID 103727879
N-(4-amino-2,5-dimethylphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520904
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-(2-amino-6-methylphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520816

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-(3,3-dimethylbutylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide (CID 103521341) is 2-(3,3-dimethylbutylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-(3,3-dimethylbutylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-(3,3-dimethylbutylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(NS(=O)(=O)CCC(C)(C)C)sc1S(N)(=O)=O.
What is the InChIKey of 2-(3,3-dimethylbutylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is IBCYNHJOIFYCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4S3/c1-7-8(20(11,16)17)18-9(12-7)13-19(14,15)6-5-10(2,3)4/h5-6H2,1-4H3,(H,12,13)(H2,11,16,17).
What are the key properties of 2-(3,3-dimethylbutylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide?
2-(3,3-dimethylbutylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 341.48 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103521341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).