2-methyl-1-methylsulfonylpyrrolidine;1-methylpyrrolidine

C11H24N2O2S — CID 158160729

IUPAC2-methyl-1-methylsulfonylpyrrolidine;1-methylpyrrolidine
SMILESCC1CCCN1S(C)(=O)=O.CN1CCCC1
InChIInChI=1S/C6H13NO2S.C5H11N/c1-6-4-3-5-7(6)10(2,8)9;1-6-4-2-3-5-6/h6H,3-5H2,1-2H3;2-5H2,1H3
InChIKeyFWFVJULPKRQYLF-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.14
Rot. Bonds1

About 2-methyl-1-methylsulfonylpyrrolidine;1-methylpyrrolidine

2-methyl-1-methylsulfonylpyrrolidine;1-methylpyrrolidine (PubChem CID 158160729) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-methyl-1-methylsulfonylpyrrolidine;1-methylpyrrolidine.

Molecular Properties

Compound Name2-methyl-1-methylsulfonylpyrrolidine;1-methylpyrrolidine
PubChem CID158160729
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name2-methyl-1-methylsulfonylpyrrolidine;1-methylpyrrolidine
SMILESCC1CCCN1S(C)(=O)=O.CN1CCCC1
InChIInChI=1S/C6H13NO2S.C5H11N/c1-6-4-3-5-7(6)10(2,8)9;1-6-4-2-3-5-6/h6H,3-5H2,1-2H3;2-5H2,1H3
InChIKeyFWFVJULPKRQYLF-UHFFFAOYSA-N
XLogP1.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine;hydrochloride
CID 14730315
(2S)-1-methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine;hydrochloride
CID 14730313
1-Methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine
CID 14730311
2-Butyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51359861
(2S)-1-methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine
CID 14730312
(2R)-1-methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine
CID 14730314
N-[(4-fluoro-1-propan-2-ylpyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide
CID 70939942
N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-ethylmethanesulfonamide
CID 70939962
N-ethyl-N-[(4-fluoro-1-propan-2-ylpyrrolidin-2-yl)methyl]methanesulfonamide
CID 89901762
N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide
CID 121274615
N-ethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide
CID 21364503
N-ethyl-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]methanesulfonamide
CID 59100248

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfonylpyrrolidine;1-methylpyrrolidine?
The IUPAC name of 2-methyl-1-methylsulfonylpyrrolidine;1-methylpyrrolidine (CID 158160729) is 2-methyl-1-methylsulfonylpyrrolidine;1-methylpyrrolidine.
What is the SMILES notation for 2-methyl-1-methylsulfonylpyrrolidine;1-methylpyrrolidine?
The canonical SMILES for 2-methyl-1-methylsulfonylpyrrolidine;1-methylpyrrolidine is CC1CCCN1S(C)(=O)=O.CN1CCCC1.
What is the InChIKey of 2-methyl-1-methylsulfonylpyrrolidine;1-methylpyrrolidine?
The InChIKey is FWFVJULPKRQYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S.C5H11N/c1-6-4-3-5-7(6)10(2,8)9;1-6-4-2-3-5-6/h6H,3-5H2,1-2H3;2-5H2,1H3.
What are the key properties of 2-methyl-1-methylsulfonylpyrrolidine;1-methylpyrrolidine?
2-methyl-1-methylsulfonylpyrrolidine;1-methylpyrrolidine has a molecular weight of 248.39 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfonylpyrrolidine;1-methylpyrrolidine is sourced from PubChem (CID 158160729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).