(2-methylpyrrolidin-1-yl)-[3-(methylsulfonylmethyl)oxetan-3-yl]methanone

C11H19NO4S — CID 166262870

IUPAC(2-methylpyrrolidin-1-yl)-[3-(methylsulfonylmethyl)oxetan-3-yl]methanone
SMILESCC1CCCN1C(=O)C1(CS(C)(=O)=O)COC1
InChIInChI=1S/C11H19NO4S/c1-9-4-3-5-12(9)10(13)11(6-16-7-11)8-17(2,14)15/h9H,3-8H2,1-2H3
InChIKeyWCKHPPBGRTVWRY-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.06
Rot. Bonds3

About (2-methylpyrrolidin-1-yl)-[3-(methylsulfonylmethyl)oxetan-3-yl]methanone

(2-methylpyrrolidin-1-yl)-[3-(methylsulfonylmethyl)oxetan-3-yl]methanone (PubChem CID 166262870) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is (2-methylpyrrolidin-1-yl)-[3-(methylsulfonylmethyl)oxetan-3-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrrolidin-1-yl)-[3-(methylsulfonylmethyl)oxetan-3-yl]methanone
PubChem CID166262870
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name(2-methylpyrrolidin-1-yl)-[3-(methylsulfonylmethyl)oxetan-3-yl]methanone
SMILESCC1CCCN1C(=O)C1(CS(C)(=O)=O)COC1
InChIInChI=1S/C11H19NO4S/c1-9-4-3-5-12(9)10(13)11(6-16-7-11)8-17(2,14)15/h9H,3-8H2,1-2H3
InChIKeyWCKHPPBGRTVWRY-UHFFFAOYSA-N
XLogP0.06
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrrolidin-1-yl)-[3-(methylsulfonylmethyl)oxetan-3-yl]methanone?
The IUPAC name of (2-methylpyrrolidin-1-yl)-[3-(methylsulfonylmethyl)oxetan-3-yl]methanone (CID 166262870) is (2-methylpyrrolidin-1-yl)-[3-(methylsulfonylmethyl)oxetan-3-yl]methanone.
What is the SMILES notation for (2-methylpyrrolidin-1-yl)-[3-(methylsulfonylmethyl)oxetan-3-yl]methanone?
The canonical SMILES for (2-methylpyrrolidin-1-yl)-[3-(methylsulfonylmethyl)oxetan-3-yl]methanone is CC1CCCN1C(=O)C1(CS(C)(=O)=O)COC1.
What is the InChIKey of (2-methylpyrrolidin-1-yl)-[3-(methylsulfonylmethyl)oxetan-3-yl]methanone?
The InChIKey is WCKHPPBGRTVWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-9-4-3-5-12(9)10(13)11(6-16-7-11)8-17(2,14)15/h9H,3-8H2,1-2H3.
What are the key properties of (2-methylpyrrolidin-1-yl)-[3-(methylsulfonylmethyl)oxetan-3-yl]methanone?
(2-methylpyrrolidin-1-yl)-[3-(methylsulfonylmethyl)oxetan-3-yl]methanone has a molecular weight of 261.34 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 (2-methylpyrrolidin-1-yl)-[3-(methylsulfonylmethyl)oxetan-3-yl]methanone is sourced from PubChem (CID 166262870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).