methylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine

C12H25NO2S — CID 158926243

IUPACmethylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine
SMILESCC1CCCC1.CC1CCCN1S(C)(=O)=O
InChIInChI=1S/C6H13NO2S.C6H12/c1-6-4-3-5-7(6)10(2,8)9;1-6-4-2-3-5-6/h6H,3-5H2,1-2H3;6H,2-5H2,1H3
InChIKeyJIMCCFLDSNVOFK-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.63
Rot. Bonds1

About methylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine

methylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine (PubChem CID 158926243) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is methylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine.

Molecular Properties

Compound Namemethylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine
PubChem CID158926243
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Namemethylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine
SMILESCC1CCCC1.CC1CCCN1S(C)(=O)=O
InChIInChI=1S/C6H13NO2S.C6H12/c1-6-4-3-5-7(6)10(2,8)9;1-6-4-2-3-5-6/h6H,3-5H2,1-2H3;6H,2-5H2,1H3
InChIKeyJIMCCFLDSNVOFK-UHFFFAOYSA-N
XLogP2.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine?
The IUPAC name of methylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine (CID 158926243) is methylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine.
What is the SMILES notation for methylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine?
The canonical SMILES for methylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine is CC1CCCC1.CC1CCCN1S(C)(=O)=O.
What is the InChIKey of methylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine?
The InChIKey is JIMCCFLDSNVOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S.C6H12/c1-6-4-3-5-7(6)10(2,8)9;1-6-4-2-3-5-6/h6H,3-5H2,1-2H3;6H,2-5H2,1H3.
What are the key properties of methylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine?
methylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine has a molecular weight of 247.40 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine is sourced from PubChem (CID 158926243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).