[(2S)-pyrrolidin-2-yl]methyl methanesulfonate

C6H13NO3S — CID 124584223

IUPAC[(2S)-pyrrolidin-2-yl]methyl methanesulfonate
SMILESCS(=O)(=O)OC[C@@H]1CCCN1
InChIInChI=1S/C6H13NO3S/c1-11(8,9)10-5-6-3-2-4-7-6/h6-7H,2-5H2,1H3/t6-/m0/s1
InChIKeyAIJZAVVGTBMMMB-LURJTMIESA-N
MW179.24 g/mol
LogP-0.29
Rot. Bonds3

About [(2S)-pyrrolidin-2-yl]methyl methanesulfonate

[(2S)-pyrrolidin-2-yl]methyl methanesulfonate (PubChem CID 124584223) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is [(2S)-pyrrolidin-2-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[(2S)-pyrrolidin-2-yl]methyl methanesulfonate
PubChem CID124584223
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name[(2S)-pyrrolidin-2-yl]methyl methanesulfonate
SMILESCS(=O)(=O)OC[C@@H]1CCCN1
InChIInChI=1S/C6H13NO3S/c1-11(8,9)10-5-6-3-2-4-7-6/h6-7H,2-5H2,1H3/t6-/m0/s1
InChIKeyAIJZAVVGTBMMMB-LURJTMIESA-N
XLogP-0.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(methylsulfonylmethyl)pyrrolidine;hydrochloride
CID 155971117
N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 59418450
(2S)-2-(methylperoxymethyl)pyrrolidine
CID 88881099
[(2S)-pyrrolidin-2-yl]methoxysilane
CID 123846708
O-(pyrrolidin-2-ylmethyl)hydroxylamine
CID 52910992
2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 20765506
2-(cyclohexyloxymethyl)piperidine
CID 24699703
(2S)-2-(propan-2-yloxymethyl)pyrrolidine
CID 28802468
(2S)-2-[(3-methoxycyclohexyl)oxymethyl]pyrrolidine
CID 102820167
pyrrolidin-2-ylmethyl 2-methylpropanoate
CID 20612613
(2S)-2-(4-methylpentan-2-yloxymethyl)pyrrolidine
CID 102819966
(2R)-2-(methoxymethyl)pyrrolidine;molecular hydrogen;propane
CID 143635962

Frequently Asked Questions

What is the IUPAC name of [(2S)-pyrrolidin-2-yl]methyl methanesulfonate?
The IUPAC name of [(2S)-pyrrolidin-2-yl]methyl methanesulfonate (CID 124584223) is [(2S)-pyrrolidin-2-yl]methyl methanesulfonate.
What is the SMILES notation for [(2S)-pyrrolidin-2-yl]methyl methanesulfonate?
The canonical SMILES for [(2S)-pyrrolidin-2-yl]methyl methanesulfonate is CS(=O)(=O)OC[C@@H]1CCCN1.
What is the InChIKey of [(2S)-pyrrolidin-2-yl]methyl methanesulfonate?
The InChIKey is AIJZAVVGTBMMMB-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO3S/c1-11(8,9)10-5-6-3-2-4-7-6/h6-7H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of [(2S)-pyrrolidin-2-yl]methyl methanesulfonate?
[(2S)-pyrrolidin-2-yl]methyl methanesulfonate has a molecular weight of 179.24 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-pyrrolidin-2-yl]methyl methanesulfonate is sourced from PubChem (CID 124584223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).