1-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-2-sulfonamide

C7H12N2O4S2 — CID 106383797

IUPAC1-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-2-sulfonamide
SMILESCC(CO)S(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C7H12N2O4S2/c1-5(3-10)15(12,13)8-2-6-4-14-7(11)9-6/h4-5,8,10H,2-3H2,1H3,(H,9,11)
InChIKeyYLBJFLNGCOWRHL-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.76
Rot. Bonds5

About 1-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-2-sulfonamide

1-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-2-sulfonamide (PubChem CID 106383797) has the molecular formula C7H12N2O4S2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-2-sulfonamide.

Molecular Properties

Compound Name1-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-2-sulfonamide
PubChem CID106383797
Molecular FormulaC7H12N2O4S2
Molecular Weight252.32 g/mol
Exact Mass252.02
IUPAC Name1-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-2-sulfonamide
SMILESCC(CO)S(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C7H12N2O4S2/c1-5(3-10)15(12,13)8-2-6-4-14-7(11)9-6/h4-5,8,10H,2-3H2,1H3,(H,9,11)
InChIKeyYLBJFLNGCOWRHL-UHFFFAOYSA-N
XLogP-0.76
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-2-sulfonamide?
The IUPAC name of 1-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-2-sulfonamide (CID 106383797) is 1-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-2-sulfonamide.
What is the SMILES notation for 1-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-2-sulfonamide?
The canonical SMILES for 1-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-2-sulfonamide is CC(CO)S(=O)(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 1-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-2-sulfonamide?
The InChIKey is YLBJFLNGCOWRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4S2/c1-5(3-10)15(12,13)8-2-6-4-14-7(11)9-6/h4-5,8,10H,2-3H2,1H3,(H,9,11).
What are the key properties of 1-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-2-sulfonamide?
1-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-2-sulfonamide has a molecular weight of 252.32 g/mol, XLogP of -0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-2-sulfonamide is sourced from PubChem (CID 106383797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).