2-methyl-3-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine

C10H21NO2S — CID 71221057

IUPAC2-methyl-3-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCC(CS(C)(=O)=O)C1C
InChIInChI=1S/C10H21NO2S/c1-8(2)11-6-5-10(9(11)3)7-14(4,12)13/h8-10H,5-7H2,1-4H3
InChIKeyRPMVOLSDVQPOBK-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.15
Rot. Bonds3

About 2-methyl-3-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine

2-methyl-3-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine (PubChem CID 71221057) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-methyl-3-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-methyl-3-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine
PubChem CID71221057
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-methyl-3-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCC(CS(C)(=O)=O)C1C
InChIInChI=1S/C10H21NO2S/c1-8(2)11-6-5-10(9(11)3)7-14(4,12)13/h8-10H,5-7H2,1-4H3
InChIKeyRPMVOLSDVQPOBK-UHFFFAOYSA-N
XLogP1.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine?
The IUPAC name of 2-methyl-3-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine (CID 71221057) is 2-methyl-3-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-methyl-3-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for 2-methyl-3-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine is CC(C)N1CCC(CS(C)(=O)=O)C1C.
What is the InChIKey of 2-methyl-3-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine?
The InChIKey is RPMVOLSDVQPOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-8(2)11-6-5-10(9(11)3)7-14(4,12)13/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-methyl-3-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine?
2-methyl-3-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine has a molecular weight of 219.35 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 71221057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).