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

C10H18N2O4S2 — CID 106290415

IUPACN-(2-hydroxy-2-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCCC(C)(O)CNS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C10H18N2O4S2/c1-4-5-10(3,14)6-11-18(15,16)8-7(2)12-9(13)17-8/h11,14H,4-6H2,1-3H3,(H,12,13)
InChIKeyBBFTVJUGIBFVDV-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.57
Rot. Bonds6

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

N-(2-hydroxy-2-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 106290415) has the molecular formula C10H18N2O4S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID106290415
Molecular FormulaC10H18N2O4S2
Molecular Weight294.40 g/mol
Exact Mass294.07
IUPAC NameN-(2-hydroxy-2-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCCC(C)(O)CNS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C10H18N2O4S2/c1-4-5-10(3,14)6-11-18(15,16)8-7(2)12-9(13)17-8/h11,14H,4-6H2,1-3H3,(H,12,13)
InChIKeyBBFTVJUGIBFVDV-UHFFFAOYSA-N
XLogP0.57
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2-hydroxy-2-methylpentyl)-4-methyl-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-methyl-2-oxo-N-pentyl-3H-1,3-thiazole-5-sulfonamide
CID 60723581
4-methyl-N-(2-methyl-2-phenylpropyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60987902
N-tert-butyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723564
N-hydroxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 130964713
4,4-dimethyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid
CID 107474816
(2S)-2-hydroxy-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
CID 107835235
N-[2-(dimethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54912813
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 107866492
3-methyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]butanoic acid
CID 65221173
N-(1-amino-2-methylpropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 63194223
N-ethoxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60724929
4-methyl-N-[(4-methylcyclohexyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 63244688

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 106290415) is N-(2-hydroxy-2-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is CCCC(C)(O)CNS(=O)(=O)c1sc(=O)[nH]c1C.
What is the InChIKey of N-(2-hydroxy-2-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is BBFTVJUGIBFVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S2/c1-4-5-10(3,14)6-11-18(15,16)8-7(2)12-9(13)17-8/h11,14H,4-6H2,1-3H3,(H,12,13).
What are the key properties of N-(2-hydroxy-2-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(2-hydroxy-2-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 294.40 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 106290415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).