[(2S)-2-hydroxy-3-[methoxy(methyl)amino]-2-methyl-3-oxopropyl] methanesulfonate

C7H15NO6S — CID 11253497

IUPAC[(2S)-2-hydroxy-3-[methoxy(methyl)amino]-2-methyl-3-oxopropyl] methanesulfonate
SMILESCON(C)C(=O)[C@@](C)(O)COS(C)(=O)=O
InChIInChI=1S/C7H15NO6S/c1-7(10,5-14-15(4,11)12)6(9)8(2)13-3/h10H,5H2,1-4H3/t7-/m0/s1
InChIKeyHXTQBSSFUMONKW-ZETCQYMHSA-N
MW241.26 g/mol
LogP-1.27
Rot. Bonds5

About [(2S)-2-hydroxy-3-[methoxy(methyl)amino]-2-methyl-3-oxopropyl] methanesulfonate

[(2S)-2-hydroxy-3-[methoxy(methyl)amino]-2-methyl-3-oxopropyl] methanesulfonate (PubChem CID 11253497) has the molecular formula C7H15NO6S and a molecular weight of 241.26 g/mol. Its IUPAC name is [(2S)-2-hydroxy-3-[methoxy(methyl)amino]-2-methyl-3-oxopropyl] methanesulfonate.

Molecular Properties

Compound Name[(2S)-2-hydroxy-3-[methoxy(methyl)amino]-2-methyl-3-oxopropyl] methanesulfonate
PubChem CID11253497
Molecular FormulaC7H15NO6S
Molecular Weight241.26 g/mol
Exact Mass241.06
IUPAC Name[(2S)-2-hydroxy-3-[methoxy(methyl)amino]-2-methyl-3-oxopropyl] methanesulfonate
SMILESCON(C)C(=O)[C@@](C)(O)COS(C)(=O)=O
InChIInChI=1S/C7H15NO6S/c1-7(10,5-14-15(4,11)12)6(9)8(2)13-3/h10H,5H2,1-4H3/t7-/m0/s1
InChIKeyHXTQBSSFUMONKW-ZETCQYMHSA-N
XLogP-1.27
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 5-1.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2,2-dimethyl-3-methylsulfonyloxypropanoate
CID 121471937
2,2-difluoro-N-methoxy-N-methylpropanamide
CID 58736313
[2-methyl-2-[(2-methylpropan-2-yl)oxy]propyl] methanesulfonate
CID 89330129
N-methoxy-N,2,2,4-tetramethyl-4-sulfanylpentanamide
CID 143976029
(3-hydroxy-3-methoxy-2,2-dimethylpropyl) methanesulfonate
CID 168838894
(2,2-dimethyl-3-methylsulfonyloxypropyl) methanesulfonate;2,2-dimethylpropane-1,3-diol;methane;methanesulfonyl chloride
CID 159490241
[2-methyl-2-(methylsulfonyloxymethyl)butyl] methanesulfonate
CID 131856273
2-[(2-methylpropan-2-yl)oxy]ethyl methanesulfonate
CID 18464924
[1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl] acetate
CID 91623533
2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 89421745
tert-butyl N-[1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate
CID 54436887
3-[methoxy(methyl)carbamoyl]pentan-3-ylphosphonic acid
CID 19422247

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-hydroxy-3-[methoxy(methyl)amino]-2-methyl-3-oxopropyl] methanesulfonate?
The IUPAC name of [(2S)-2-hydroxy-3-[methoxy(methyl)amino]-2-methyl-3-oxopropyl] methanesulfonate (CID 11253497) is [(2S)-2-hydroxy-3-[methoxy(methyl)amino]-2-methyl-3-oxopropyl] methanesulfonate.
What is the SMILES notation for [(2S)-2-hydroxy-3-[methoxy(methyl)amino]-2-methyl-3-oxopropyl] methanesulfonate?
The canonical SMILES for [(2S)-2-hydroxy-3-[methoxy(methyl)amino]-2-methyl-3-oxopropyl] methanesulfonate is CON(C)C(=O)[C@@](C)(O)COS(C)(=O)=O.
What is the InChIKey of [(2S)-2-hydroxy-3-[methoxy(methyl)amino]-2-methyl-3-oxopropyl] methanesulfonate?
The InChIKey is HXTQBSSFUMONKW-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NO6S/c1-7(10,5-14-15(4,11)12)6(9)8(2)13-3/h10H,5H2,1-4H3/t7-/m0/s1.
What are the key properties of [(2S)-2-hydroxy-3-[methoxy(methyl)amino]-2-methyl-3-oxopropyl] methanesulfonate?
[(2S)-2-hydroxy-3-[methoxy(methyl)amino]-2-methyl-3-oxopropyl] methanesulfonate has a molecular weight of 241.26 g/mol, XLogP of -1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-hydroxy-3-[methoxy(methyl)amino]-2-methyl-3-oxopropyl] methanesulfonate is sourced from PubChem (CID 11253497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).