2-[(2S,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N,N-dimethylacetamide

C16H24N2O5S — CID 54639616

IUPAC2-[(2S,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1
InChIInChI=1S/C16H24N2O5S/c1-18(2)16(20)10-12-8-9-14(15(11-19)23-12)17-24(21,22)13-6-4-3-5-7-13/h3-7,12,14-15,17,19H,8-11H2,1-2H3/t12-,14-,15-/m0/s1
InChIKeyXITZEOXYAYTYOD-QEJZJMRPSA-N
MW356.44 g/mol
LogP0.35
Rot. Bonds6

About 2-[(2S,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N,N-dimethylacetamide

2-[(2S,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N,N-dimethylacetamide (PubChem CID 54639616) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-[(2S,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2S,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N,N-dimethylacetamide
PubChem CID54639616
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name2-[(2S,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1
InChIInChI=1S/C16H24N2O5S/c1-18(2)16(20)10-12-8-9-14(15(11-19)23-12)17-24(21,22)13-6-4-3-5-7-13/h3-7,12,14-15,17,19H,8-11H2,1-2H3/t12-,14-,15-/m0/s1
InChIKeyXITZEOXYAYTYOD-QEJZJMRPSA-N
XLogP0.35
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2S,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N,N-dimethylacetamide (CID 54639616) is 2-[(2S,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2S,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2S,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N,N-dimethylacetamide is CN(C)C(=O)C[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1.
What is the InChIKey of 2-[(2S,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N,N-dimethylacetamide?
The InChIKey is XITZEOXYAYTYOD-QEJZJMRPSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-18(2)16(20)10-12-8-9-14(15(11-19)23-12)17-24(21,22)13-6-4-3-5-7-13/h3-7,12,14-15,17,19H,8-11H2,1-2H3/t12-,14-,15-/m0/s1.
What are the key properties of 2-[(2S,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N,N-dimethylacetamide?
2-[(2S,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N,N-dimethylacetamide has a molecular weight of 356.44 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 54639616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).