ethane;1-methyl-2-(methylsulfonylmethyl)pyrrolidine

C9H21NO2S — CID 144581658

IUPACethane;1-methyl-2-(methylsulfonylmethyl)pyrrolidine
SMILESCC.CN1CCCC1CS(C)(=O)=O
InChIInChI=1S/C7H15NO2S.C2H6/c1-8-5-3-4-7(8)6-11(2,9)10;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyNRYSIRYONGNIKN-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.15
Rot. Bonds2

About ethane;1-methyl-2-(methylsulfonylmethyl)pyrrolidine

ethane;1-methyl-2-(methylsulfonylmethyl)pyrrolidine (PubChem CID 144581658) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is ethane;1-methyl-2-(methylsulfonylmethyl)pyrrolidine.

Molecular Properties

Compound Nameethane;1-methyl-2-(methylsulfonylmethyl)pyrrolidine
PubChem CID144581658
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Nameethane;1-methyl-2-(methylsulfonylmethyl)pyrrolidine
SMILESCC.CN1CCCC1CS(C)(=O)=O
InChIInChI=1S/C7H15NO2S.C2H6/c1-8-5-3-4-7(8)6-11(2,9)10;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyNRYSIRYONGNIKN-UHFFFAOYSA-N
XLogP1.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2-(methylsulfonylmethyl)pyrrolidine?
The IUPAC name of ethane;1-methyl-2-(methylsulfonylmethyl)pyrrolidine (CID 144581658) is ethane;1-methyl-2-(methylsulfonylmethyl)pyrrolidine.
What is the SMILES notation for ethane;1-methyl-2-(methylsulfonylmethyl)pyrrolidine?
The canonical SMILES for ethane;1-methyl-2-(methylsulfonylmethyl)pyrrolidine is CC.CN1CCCC1CS(C)(=O)=O.
What is the InChIKey of ethane;1-methyl-2-(methylsulfonylmethyl)pyrrolidine?
The InChIKey is NRYSIRYONGNIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S.C2H6/c1-8-5-3-4-7(8)6-11(2,9)10;1-2/h7H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methyl-2-(methylsulfonylmethyl)pyrrolidine?
ethane;1-methyl-2-(methylsulfonylmethyl)pyrrolidine has a molecular weight of 207.34 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2-(methylsulfonylmethyl)pyrrolidine is sourced from PubChem (CID 144581658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).