methane;methylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine

C13H29NO2S — CID 158785709

IUPACmethane;methylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine
SMILESC.CC1CCCC1.CC1CCCN1S(C)(=O)=O
InChIInChI=1S/C6H13NO2S.C6H12.CH4/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;1H4
InChIKeyIRQRKIYHZBOMRU-UHFFFAOYSA-N
MW263.45 g/mol
LogP3.26
Rot. Bonds1

About methane;methylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine

methane;methylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine (PubChem CID 158785709) has the molecular formula C13H29NO2S and a molecular weight of 263.45 g/mol. Its IUPAC name is methane;methylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine.

Molecular Properties

Compound Namemethane;methylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine
PubChem CID158785709
Molecular FormulaC13H29NO2S
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC Namemethane;methylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine
SMILESC.CC1CCCC1.CC1CCCN1S(C)(=O)=O
InChIInChI=1S/C6H13NO2S.C6H12.CH4/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;1H4
InChIKeyIRQRKIYHZBOMRU-UHFFFAOYSA-N
XLogP3.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methane;methylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine?
The IUPAC name of methane;methylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine (CID 158785709) is methane;methylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine.
What is the SMILES notation for methane;methylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine?
The canonical SMILES for methane;methylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine is C.CC1CCCC1.CC1CCCN1S(C)(=O)=O.
What is the InChIKey of methane;methylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine?
The InChIKey is IRQRKIYHZBOMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S.C6H12.CH4/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;1H4.
What are the key properties of methane;methylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine?
methane;methylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine has a molecular weight of 263.45 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methylcyclopentane;2-methyl-1-methylsulfonylpyrrolidine is sourced from PubChem (CID 158785709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).