ethane;2-methyl-1-methylsulfonylpyrrolidine

C8H19NO2S — CID 143422513

IUPACethane;2-methyl-1-methylsulfonylpyrrolidine
SMILESCC.CC1CCCN1S(C)(=O)=O
InChIInChI=1S/C6H13NO2S.C2H6/c1-6-4-3-5-7(6)10(2,8)9;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyGZGDBABHBGPBIW-UHFFFAOYSA-N
MW193.31 g/mol
LogP1.46
Rot. Bonds1

About ethane;2-methyl-1-methylsulfonylpyrrolidine

ethane;2-methyl-1-methylsulfonylpyrrolidine (PubChem CID 143422513) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is ethane;2-methyl-1-methylsulfonylpyrrolidine.

Molecular Properties

Compound Nameethane;2-methyl-1-methylsulfonylpyrrolidine
PubChem CID143422513
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Nameethane;2-methyl-1-methylsulfonylpyrrolidine
SMILESCC.CC1CCCN1S(C)(=O)=O
InChIInChI=1S/C6H13NO2S.C2H6/c1-6-4-3-5-7(6)10(2,8)9;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyGZGDBABHBGPBIW-UHFFFAOYSA-N
XLogP1.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;2-methyl-1-methylsulfonylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1-methylsulfonylpyrrolidine?
The IUPAC name of ethane;2-methyl-1-methylsulfonylpyrrolidine (CID 143422513) is ethane;2-methyl-1-methylsulfonylpyrrolidine.
What is the SMILES notation for ethane;2-methyl-1-methylsulfonylpyrrolidine?
The canonical SMILES for ethane;2-methyl-1-methylsulfonylpyrrolidine is CC.CC1CCCN1S(C)(=O)=O.
What is the InChIKey of ethane;2-methyl-1-methylsulfonylpyrrolidine?
The InChIKey is GZGDBABHBGPBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S.C2H6/c1-6-4-3-5-7(6)10(2,8)9;1-2/h6H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methyl-1-methylsulfonylpyrrolidine?
ethane;2-methyl-1-methylsulfonylpyrrolidine has a molecular weight of 193.31 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1-methylsulfonylpyrrolidine is sourced from PubChem (CID 143422513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).