1-methylsulfonylpyrrolidine

C5H11NO2S — CID 3812935

IUPAC1-methylsulfonylpyrrolidine
SMILESCS(=O)(=O)N1CCCC1
InChIInChI=1S/C5H11NO2S/c1-9(7,8)6-4-2-3-5-6/h2-5H2,1H3
InChIKeyGMQPIGJXSZAXSJ-UHFFFAOYSA-N
MW149.22 g/mol
LogP0.04
Rot. Bonds1

About 1-methylsulfonylpyrrolidine

1-methylsulfonylpyrrolidine (PubChem CID 3812935) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is 1-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name1-methylsulfonylpyrrolidine
PubChem CID3812935
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name1-methylsulfonylpyrrolidine
SMILESCS(=O)(=O)N1CCCC1
InChIInChI=1S/C5H11NO2S/c1-9(7,8)6-4-2-3-5-6/h2-5H2,1H3
InChIKeyGMQPIGJXSZAXSJ-UHFFFAOYSA-N
XLogP0.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylpyrrolidine?
The IUPAC name of 1-methylsulfonylpyrrolidine (CID 3812935) is 1-methylsulfonylpyrrolidine.
What is the SMILES notation for 1-methylsulfonylpyrrolidine?
The canonical SMILES for 1-methylsulfonylpyrrolidine is CS(=O)(=O)N1CCCC1.
What is the InChIKey of 1-methylsulfonylpyrrolidine?
The InChIKey is GMQPIGJXSZAXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-9(7,8)6-4-2-3-5-6/h2-5H2,1H3.
What are the key properties of 1-methylsulfonylpyrrolidine?
1-methylsulfonylpyrrolidine has a molecular weight of 149.22 g/mol, XLogP of 0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylpyrrolidine is sourced from PubChem (CID 3812935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).