2-hydroxy-2-methyl-4-oxo-N-phenyl-1,4-oxathiane-3-carboxamide

C12H15NO4S — CID 139595333

IUPAC2-hydroxy-2-methyl-4-oxo-N-phenyl-1,4-oxathiane-3-carboxamide
SMILESCC1(O)OCCS(=O)C1C(=O)Nc1ccccc1
InChIInChI=1S/C12H15NO4S/c1-12(15)10(18(16)8-7-17-12)11(14)13-9-5-3-2-4-6-9/h2-6,10,15H,7-8H2,1H3,(H,13,14)
InChIKeyHWGDMMMKQAMZJJ-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.48
Rot. Bonds2

About 2-hydroxy-2-methyl-4-oxo-N-phenyl-1,4-oxathiane-3-carboxamide

2-hydroxy-2-methyl-4-oxo-N-phenyl-1,4-oxathiane-3-carboxamide (PubChem CID 139595333) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-4-oxo-N-phenyl-1,4-oxathiane-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-2-methyl-4-oxo-N-phenyl-1,4-oxathiane-3-carboxamide
PubChem CID139595333
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name2-hydroxy-2-methyl-4-oxo-N-phenyl-1,4-oxathiane-3-carboxamide
SMILESCC1(O)OCCS(=O)C1C(=O)Nc1ccccc1
InChIInChI=1S/C12H15NO4S/c1-12(15)10(18(16)8-7-17-12)11(14)13-9-5-3-2-4-6-9/h2-6,10,15H,7-8H2,1H3,(H,13,14)
InChIKeyHWGDMMMKQAMZJJ-UHFFFAOYSA-N
XLogP0.48
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-4-oxo-N-phenyl-1,4-oxathiane-3-carboxamide?
The IUPAC name of 2-hydroxy-2-methyl-4-oxo-N-phenyl-1,4-oxathiane-3-carboxamide (CID 139595333) is 2-hydroxy-2-methyl-4-oxo-N-phenyl-1,4-oxathiane-3-carboxamide.
What is the SMILES notation for 2-hydroxy-2-methyl-4-oxo-N-phenyl-1,4-oxathiane-3-carboxamide?
The canonical SMILES for 2-hydroxy-2-methyl-4-oxo-N-phenyl-1,4-oxathiane-3-carboxamide is CC1(O)OCCS(=O)C1C(=O)Nc1ccccc1.
What is the InChIKey of 2-hydroxy-2-methyl-4-oxo-N-phenyl-1,4-oxathiane-3-carboxamide?
The InChIKey is HWGDMMMKQAMZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-12(15)10(18(16)8-7-17-12)11(14)13-9-5-3-2-4-6-9/h2-6,10,15H,7-8H2,1H3,(H,13,14).
What are the key properties of 2-hydroxy-2-methyl-4-oxo-N-phenyl-1,4-oxathiane-3-carboxamide?
2-hydroxy-2-methyl-4-oxo-N-phenyl-1,4-oxathiane-3-carboxamide has a molecular weight of 269.32 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-4-oxo-N-phenyl-1,4-oxathiane-3-carboxamide is sourced from PubChem (CID 139595333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).