N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C9H16N2O5S2 — CID 107866492

IUPACN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCC(CO)(CO)NS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C9H16N2O5S2/c1-3-9(4-12,5-13)11-18(15,16)7-6(2)10-8(14)17-7/h11-13H,3-5H2,1-2H3,(H,10,14)
InChIKeyXZWFHAQFZHMVKZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP-0.84
Rot. Bonds6

About N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 107866492) has the molecular formula C9H16N2O5S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID107866492
Molecular FormulaC9H16N2O5S2
Molecular Weight296.37 g/mol
Exact Mass296.05
IUPAC NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCC(CO)(CO)NS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C9H16N2O5S2/c1-3-9(4-12,5-13)11-18(15,16)7-6(2)10-8(14)17-7/h11-13H,3-5H2,1-2H3,(H,10,14)
InChIKeyXZWFHAQFZHMVKZ-UHFFFAOYSA-N
XLogP-0.84
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide with MolForge

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Related Compounds

N-tert-butyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723564
N-(1-amino-2-methylpropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 63194223
N-hydroxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 130964713
N-ethoxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60724929
N-[(1-hydroxycyclopentyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 65108721
N-(2-hydroxy-2-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 106290415
4-methyl-2-oxo-N-pentyl-3H-1,3-thiazole-5-sulfonamide
CID 60723581
3-methyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]butanoic acid
CID 65221173
N-(1-aminobutan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 65193791
N-[2-(dimethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54912813
(2S)-2-hydroxy-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
CID 107835235
N,N-diethyl-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanamide
CID 61275381

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 107866492) is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is CCC(CO)(CO)NS(=O)(=O)c1sc(=O)[nH]c1C.
What is the InChIKey of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is XZWFHAQFZHMVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5S2/c1-3-9(4-12,5-13)11-18(15,16)7-6(2)10-8(14)17-7/h11-13H,3-5H2,1-2H3,(H,10,14).
What are the key properties of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 296.37 g/mol, XLogP of -0.84, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 107866492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).