[(2R)-1-methylpyrrolidin-2-yl]methyl methanesulfonate

C7H15NO3S — CID 58483914

IUPAC[(2R)-1-methylpyrrolidin-2-yl]methyl methanesulfonate
SMILESCN1CCC[C@@H]1COS(C)(=O)=O
InChIInChI=1S/C7H15NO3S/c1-8-5-3-4-7(8)6-11-12(2,9)10/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyOWHLBMIKCGVFPT-SSDOTTSWSA-N
MW193.27 g/mol
LogP0.06
Rot. Bonds3

About [(2R)-1-methylpyrrolidin-2-yl]methyl methanesulfonate

[(2R)-1-methylpyrrolidin-2-yl]methyl methanesulfonate (PubChem CID 58483914) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is [(2R)-1-methylpyrrolidin-2-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[(2R)-1-methylpyrrolidin-2-yl]methyl methanesulfonate
PubChem CID58483914
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name[(2R)-1-methylpyrrolidin-2-yl]methyl methanesulfonate
SMILESCN1CCC[C@@H]1COS(C)(=O)=O
InChIInChI=1S/C7H15NO3S/c1-8-5-3-4-7(8)6-11-12(2,9)10/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyOWHLBMIKCGVFPT-SSDOTTSWSA-N
XLogP0.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl methanesulfonate
CID 18661066
2-[(2S)-2-(methylsulfonyloxymethyl)pyrrolidin-1-yl]ethyl methanesulfonate
CID 102373998
methyl-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phosphinic acid
CID 89327718
methanesulfonyl chloride;[(2S)-1-methylpyrrolidin-2-yl]methanol
CID 91224158
[(2S)-1-methylpyrrolidin-2-yl]methyl hypoiodite
CID 149141238
(1-methylpyrrolidin-2-yl)methyl formate
CID 54245188
(1-methylpyrrolidin-2-yl)methanesulfonyl chloride
CID 127010204
ethane;2-(ethoxymethyl)-1-methylpyrrolidine
CID 169145954
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide
CID 59418403
(1-methylpiperidin-2-yl)methyl dihydrogen phosphate
CID 71057563
[(2R)-1-methylpyrrolidin-2-yl]methanethiol
CID 90948106
tert-butyl (2R)-2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate
CID 13008759

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-methylpyrrolidin-2-yl]methyl methanesulfonate?
The IUPAC name of [(2R)-1-methylpyrrolidin-2-yl]methyl methanesulfonate (CID 58483914) is [(2R)-1-methylpyrrolidin-2-yl]methyl methanesulfonate.
What is the SMILES notation for [(2R)-1-methylpyrrolidin-2-yl]methyl methanesulfonate?
The canonical SMILES for [(2R)-1-methylpyrrolidin-2-yl]methyl methanesulfonate is CN1CCC[C@@H]1COS(C)(=O)=O.
What is the InChIKey of [(2R)-1-methylpyrrolidin-2-yl]methyl methanesulfonate?
The InChIKey is OWHLBMIKCGVFPT-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-8-5-3-4-7(8)6-11-12(2,9)10/h7H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of [(2R)-1-methylpyrrolidin-2-yl]methyl methanesulfonate?
[(2R)-1-methylpyrrolidin-2-yl]methyl methanesulfonate has a molecular weight of 193.27 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-methylpyrrolidin-2-yl]methyl methanesulfonate is sourced from PubChem (CID 58483914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).