2-methyl-2-(2-methylsulfonylethyl)pyrrolidine

C8H17NO2S — CID 66467821

IUPAC2-methyl-2-(2-methylsulfonylethyl)pyrrolidine
SMILESCC1(CCS(C)(=O)=O)CCCN1
InChIInChI=1S/C8H17NO2S/c1-8(4-3-6-9-8)5-7-12(2,10)11/h9H,3-7H2,1-2H3
InChIKeyZYHAEMSZWIOERK-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.56
Rot. Bonds3

About 2-methyl-2-(2-methylsulfonylethyl)pyrrolidine

2-methyl-2-(2-methylsulfonylethyl)pyrrolidine (PubChem CID 66467821) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-methyl-2-(2-methylsulfonylethyl)pyrrolidine.

Molecular Properties

Compound Name2-methyl-2-(2-methylsulfonylethyl)pyrrolidine
PubChem CID66467821
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name2-methyl-2-(2-methylsulfonylethyl)pyrrolidine
SMILESCC1(CCS(C)(=O)=O)CCCN1
InChIInChI=1S/C8H17NO2S/c1-8(4-3-6-9-8)5-7-12(2,10)11/h9H,3-7H2,1-2H3
InChIKeyZYHAEMSZWIOERK-UHFFFAOYSA-N
XLogP0.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylsulfonylethyl)pyrrolidine?
The IUPAC name of 2-methyl-2-(2-methylsulfonylethyl)pyrrolidine (CID 66467821) is 2-methyl-2-(2-methylsulfonylethyl)pyrrolidine.
What is the SMILES notation for 2-methyl-2-(2-methylsulfonylethyl)pyrrolidine?
The canonical SMILES for 2-methyl-2-(2-methylsulfonylethyl)pyrrolidine is CC1(CCS(C)(=O)=O)CCCN1.
What is the InChIKey of 2-methyl-2-(2-methylsulfonylethyl)pyrrolidine?
The InChIKey is ZYHAEMSZWIOERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-8(4-3-6-9-8)5-7-12(2,10)11/h9H,3-7H2,1-2H3.
What are the key properties of 2-methyl-2-(2-methylsulfonylethyl)pyrrolidine?
2-methyl-2-(2-methylsulfonylethyl)pyrrolidine has a molecular weight of 191.30 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylsulfonylethyl)pyrrolidine is sourced from PubChem (CID 66467821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).