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

C7H15NO5S2 — CID 18661066

IUPAC[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl methanesulfonate
SMILESCS(=O)(=O)OC[C@H]1CCCN1S(C)(=O)=O
InChIInChI=1S/C7H15NO5S2/c1-14(9,10)8-5-3-4-7(8)6-13-15(2,11)12/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyAKNKHURYQORHRR-SSDOTTSWSA-N
MW257.33 g/mol
LogP-0.61
Rot. Bonds4

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

[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl methanesulfonate (PubChem CID 18661066) has the molecular formula C7H15NO5S2 and a molecular weight of 257.33 g/mol. Its IUPAC name is [(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl methanesulfonate
PubChem CID18661066
Molecular FormulaC7H15NO5S2
Molecular Weight257.33 g/mol
Exact Mass257.04
IUPAC Name[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl methanesulfonate
SMILESCS(=O)(=O)OC[C@H]1CCCN1S(C)(=O)=O
InChIInChI=1S/C7H15NO5S2/c1-14(9,10)8-5-3-4-7(8)6-13-15(2,11)12/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyAKNKHURYQORHRR-SSDOTTSWSA-N
XLogP-0.61
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-methylpyrrolidin-2-yl]methyl methanesulfonate
CID 58483914
1-methylsulfonyl-2-propylpyrrolidine
CID 59852648
2-[(2S)-2-(methylsulfonyloxymethyl)pyrrolidin-1-yl]ethyl methanesulfonate
CID 102373998
2-(3-bromopropyl)-1-methylsulfonylpyrrolidine
CID 80675195
tert-butyl (2R)-2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate
CID 13008759
(2S)-1-methylsulfonyl-2-(2-propan-2-yloxyethyl)piperidine
CID 96516255
[2-(methylsulfonyloxymethyl)cyclopentyl]methyl methanesulfonate
CID 57493581
[(2S)-2-(methylsulfonyloxymethyl)cyclohexyl]methyl methanesulfonate
CID 58665661
2-(1-methylsulfonylpiperidin-2-yl)ethanol
CID 60956631
(2R)-2-(methoxymethyl)pyrrolidine-1-sulfonamide
CID 126742603
butyl (2R)-2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate
CID 164522994
[(2S)-2-(methylsulfonyloxymethyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174811572

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl methanesulfonate?
The IUPAC name of [(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl methanesulfonate (CID 18661066) is [(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl methanesulfonate.
What is the SMILES notation for [(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl methanesulfonate?
The canonical SMILES for [(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl methanesulfonate is CS(=O)(=O)OC[C@H]1CCCN1S(C)(=O)=O.
What is the InChIKey of [(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl methanesulfonate?
The InChIKey is AKNKHURYQORHRR-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H15NO5S2/c1-14(9,10)8-5-3-4-7(8)6-13-15(2,11)12/h7H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of [(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl methanesulfonate?
[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl methanesulfonate has a molecular weight of 257.33 g/mol, XLogP of -0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl methanesulfonate is sourced from PubChem (CID 18661066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).