methyl 2-(5-methyl-1-methylsulfonylpyrrolidin-2-yl)acetate

C9H17NO4S — CID 59877331

IUPACmethyl 2-(5-methyl-1-methylsulfonylpyrrolidin-2-yl)acetate
SMILESCOC(=O)CC1CCC(C)N1S(C)(=O)=O
InChIInChI=1S/C9H17NO4S/c1-7-4-5-8(6-9(11)14-2)10(7)15(3,12)13/h7-8H,4-6H2,1-3H3
InChIKeyRLRSABWMMQANSJ-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.36
Rot. Bonds3

About methyl 2-(5-methyl-1-methylsulfonylpyrrolidin-2-yl)acetate

methyl 2-(5-methyl-1-methylsulfonylpyrrolidin-2-yl)acetate (PubChem CID 59877331) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is methyl 2-(5-methyl-1-methylsulfonylpyrrolidin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-methyl-1-methylsulfonylpyrrolidin-2-yl)acetate
PubChem CID59877331
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Namemethyl 2-(5-methyl-1-methylsulfonylpyrrolidin-2-yl)acetate
SMILESCOC(=O)CC1CCC(C)N1S(C)(=O)=O
InChIInChI=1S/C9H17NO4S/c1-7-4-5-8(6-9(11)14-2)10(7)15(3,12)13/h7-8H,4-6H2,1-3H3
InChIKeyRLRSABWMMQANSJ-UHFFFAOYSA-N
XLogP0.36
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methyl-1-methylsulfonylpyrrolidin-2-yl)acetate?
The IUPAC name of methyl 2-(5-methyl-1-methylsulfonylpyrrolidin-2-yl)acetate (CID 59877331) is methyl 2-(5-methyl-1-methylsulfonylpyrrolidin-2-yl)acetate.
What is the SMILES notation for methyl 2-(5-methyl-1-methylsulfonylpyrrolidin-2-yl)acetate?
The canonical SMILES for methyl 2-(5-methyl-1-methylsulfonylpyrrolidin-2-yl)acetate is COC(=O)CC1CCC(C)N1S(C)(=O)=O.
What is the InChIKey of methyl 2-(5-methyl-1-methylsulfonylpyrrolidin-2-yl)acetate?
The InChIKey is RLRSABWMMQANSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-7-4-5-8(6-9(11)14-2)10(7)15(3,12)13/h7-8H,4-6H2,1-3H3.
What are the key properties of methyl 2-(5-methyl-1-methylsulfonylpyrrolidin-2-yl)acetate?
methyl 2-(5-methyl-1-methylsulfonylpyrrolidin-2-yl)acetate has a molecular weight of 235.30 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methyl-1-methylsulfonylpyrrolidin-2-yl)acetate is sourced from PubChem (CID 59877331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).