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

C10H18N2O3S2 — CID 54955518

IUPAC4-methyl-N-(3-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C10H18N2O3S2/c1-5-6(2)7(3)12-17(14,15)9-8(4)11-10(13)16-9/h6-7,12H,5H2,1-4H3,(H,11,13)
InChIKeyKSVMDYRCOYWKFX-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.46
Rot. Bonds5

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

4-methyl-N-(3-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 54955518) has the molecular formula C10H18N2O3S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-methyl-N-(3-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-(3-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID54955518
Molecular FormulaC10H18N2O3S2
Molecular Weight278.40 g/mol
Exact Mass278.08
IUPAC Name4-methyl-N-(3-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C10H18N2O3S2/c1-5-6(2)7(3)12-17(14,15)9-8(4)11-10(13)16-9/h6-7,12H,5H2,1-4H3,(H,11,13)
InChIKeyKSVMDYRCOYWKFX-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

Analyze 4-methyl-N-(3-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-N-[(1-ethylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 126822873
5-[4-(aminomethyl)piperidin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
CID 43605309
N-(2-amino-4-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 43606354
N,4-dimethyl-N-(3-methylbutan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54883848
N,4-dimethyl-2-oxo-N-pentan-3-yl-3H-1,3-thiazole-5-sulfonamide
CID 54883849
5-(4-ethylpiperidin-1-yl)sulfonyl-4-methyl-3H-1,3-thiazol-2-one
CID 54883853
N-heptan-2-yl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54883894
N-ethyl-N-(2-ethylbutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54884043
N-(2-cyclopentylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54884327
N-(2-cyclohexylethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54884374
N,4-dimethyl-N-(2-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54884422
N-cyclopropyl-4-methyl-N-(3-methylbutyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54884425

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-N-(3-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 54955518) is 4-methyl-N-(3-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-N-(3-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-N-(3-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide is CCC(C)C(C)NS(=O)(=O)c1sc(=O)[nH]c1C.
What is the InChIKey of 4-methyl-N-(3-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is KSVMDYRCOYWKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S2/c1-5-6(2)7(3)12-17(14,15)9-8(4)11-10(13)16-9/h6-7,12H,5H2,1-4H3,(H,11,13).
What are the key properties of 4-methyl-N-(3-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
4-methyl-N-(3-methylpentan-2-yl)-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 4-methyl-N-(3-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 54955518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).