2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(methanesulfonamidomethyl)oxolan-2-yl]-N-propan-2-ylacetamide

C11H22N2O6S — CID 25390415

IUPAC2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(methanesulfonamidomethyl)oxolan-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C[C@@H]1O[C@H](CNS(C)(=O)=O)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H22N2O6S/c1-6(2)13-9(14)4-7-10(15)11(16)8(19-7)5-12-20(3,17)18/h6-8,10-12,15-16H,4-5H2,1-3H3,(H,13,14)/t7-,8+,10-,11+/m0/s1
InChIKeyCJKURMYUKCFFCH-GISOBZBCSA-N
MW310.37 g/mol
LogP-2.06
Rot. Bonds6

About 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(methanesulfonamidomethyl)oxolan-2-yl]-N-propan-2-ylacetamide

2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(methanesulfonamidomethyl)oxolan-2-yl]-N-propan-2-ylacetamide (PubChem CID 25390415) has the molecular formula C11H22N2O6S and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(methanesulfonamidomethyl)oxolan-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(methanesulfonamidomethyl)oxolan-2-yl]-N-propan-2-ylacetamide
PubChem CID25390415
Molecular FormulaC11H22N2O6S
Molecular Weight310.37 g/mol
Exact Mass310.12
IUPAC Name2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(methanesulfonamidomethyl)oxolan-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C[C@@H]1O[C@H](CNS(C)(=O)=O)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H22N2O6S/c1-6(2)13-9(14)4-7-10(15)11(16)8(19-7)5-12-20(3,17)18/h6-8,10-12,15-16H,4-5H2,1-3H3,(H,13,14)/t7-,8+,10-,11+/m0/s1
InChIKeyCJKURMYUKCFFCH-GISOBZBCSA-N
XLogP-2.06
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 5-2.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(methanesulfonamidomethyl)oxolan-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(methanesulfonamidomethyl)oxolan-2-yl]-N-propan-2-ylacetamide (CID 25390415) is 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(methanesulfonamidomethyl)oxolan-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(methanesulfonamidomethyl)oxolan-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(methanesulfonamidomethyl)oxolan-2-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)C[C@@H]1O[C@H](CNS(C)(=O)=O)[C@@H](O)[C@H]1O.
What is the InChIKey of 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(methanesulfonamidomethyl)oxolan-2-yl]-N-propan-2-ylacetamide?
The InChIKey is CJKURMYUKCFFCH-GISOBZBCSA-N. The full InChI is InChI=1S/C11H22N2O6S/c1-6(2)13-9(14)4-7-10(15)11(16)8(19-7)5-12-20(3,17)18/h6-8,10-12,15-16H,4-5H2,1-3H3,(H,13,14)/t7-,8+,10-,11+/m0/s1.
What are the key properties of 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(methanesulfonamidomethyl)oxolan-2-yl]-N-propan-2-ylacetamide?
2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(methanesulfonamidomethyl)oxolan-2-yl]-N-propan-2-ylacetamide has a molecular weight of 310.37 g/mol, XLogP of -2.06, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(methanesulfonamidomethyl)oxolan-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 25390415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).