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

C7H12N2O4S2 — CID 106383784

IUPAC3-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide
SMILESO=c1[nH]c(CNS(=O)(=O)CCCO)cs1
InChIInChI=1S/C7H12N2O4S2/c10-2-1-3-15(12,13)8-4-6-5-14-7(11)9-6/h5,8,10H,1-4H2,(H,9,11)
InChIKeyVGCVYPZHOWTWHF-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.76
Rot. Bonds6

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

3-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide (PubChem CID 106383784) has the molecular formula C7H12N2O4S2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide
PubChem CID106383784
Molecular FormulaC7H12N2O4S2
Molecular Weight252.32 g/mol
Exact Mass252.02
IUPAC Name3-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide
SMILESO=c1[nH]c(CNS(=O)(=O)CCCO)cs1
InChIInChI=1S/C7H12N2O4S2/c10-2-1-3-15(12,13)8-4-6-5-14-7(11)9-6/h5,8,10H,1-4H2,(H,9,11)
InChIKeyVGCVYPZHOWTWHF-UHFFFAOYSA-N
XLogP-0.76
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
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 3-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide?
The IUPAC name of 3-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide (CID 106383784) is 3-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 3-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for 3-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide is O=c1[nH]c(CNS(=O)(=O)CCCO)cs1.
What is the InChIKey of 3-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide?
The InChIKey is VGCVYPZHOWTWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4S2/c10-2-1-3-15(12,13)8-4-6-5-14-7(11)9-6/h5,8,10H,1-4H2,(H,9,11).
What are the key properties of 3-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide?
3-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide has a molecular weight of 252.32 g/mol, XLogP of -0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 106383784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).