N-(2,2-dimethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C10H18N2O3S2 — CID 103463734

IUPACN-(2,2-dimethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCC(C)(C)CNS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C10H18N2O3S2/c1-5-10(3,4)6-11-17(14,15)8-7(2)12-9(13)16-8/h11H,5-6H2,1-4H3,(H,12,13)
InChIKeyRNOBJAHAYMPLSQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.46
Rot. Bonds5

About N-(2,2-dimethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-(2,2-dimethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 103463734) has the molecular formula C10H18N2O3S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID103463734
Molecular FormulaC10H18N2O3S2
Molecular Weight278.40 g/mol
Exact Mass278.08
IUPAC NameN-(2,2-dimethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCC(C)(C)CNS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C10H18N2O3S2/c1-5-10(3,4)6-11-17(14,15)8-7(2)12-9(13)16-8/h11H,5-6H2,1-4H3,(H,12,13)
InChIKeyRNOBJAHAYMPLSQ-UHFFFAOYSA-N
XLogP1.46
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(2,2-dimethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 103463734) is N-(2,2-dimethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is CCC(C)(C)CNS(=O)(=O)c1sc(=O)[nH]c1C.
What is the InChIKey of N-(2,2-dimethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is RNOBJAHAYMPLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S2/c1-5-10(3,4)6-11-17(14,15)8-7(2)12-9(13)16-8/h11H,5-6H2,1-4H3,(H,12,13).
What are the key properties of N-(2,2-dimethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(2,2-dimethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 278.40 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103463734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).