2,2,4-trimethyl-1-methylsulfonylpyrrolidine

C8H17NO2S — CID 126995484

IUPAC2,2,4-trimethyl-1-methylsulfonylpyrrolidine
SMILESCC1CN(S(C)(=O)=O)C(C)(C)C1
InChIInChI=1S/C8H17NO2S/c1-7-5-8(2,3)9(6-7)12(4,10)11/h7H,5-6H2,1-4H3
InChIKeyHXDDQEMJQZOOQB-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.07
Rot. Bonds1

About 2,2,4-trimethyl-1-methylsulfonylpyrrolidine

2,2,4-trimethyl-1-methylsulfonylpyrrolidine (PubChem CID 126995484) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 2,2,4-trimethyl-1-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name2,2,4-trimethyl-1-methylsulfonylpyrrolidine
PubChem CID126995484
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name2,2,4-trimethyl-1-methylsulfonylpyrrolidine
SMILESCC1CN(S(C)(=O)=O)C(C)(C)C1
InChIInChI=1S/C8H17NO2S/c1-7-5-8(2,3)9(6-7)12(4,10)11/h7H,5-6H2,1-4H3
InChIKeyHXDDQEMJQZOOQB-UHFFFAOYSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-1-methylsulfonylpyrrolidine?
The IUPAC name of 2,2,4-trimethyl-1-methylsulfonylpyrrolidine (CID 126995484) is 2,2,4-trimethyl-1-methylsulfonylpyrrolidine.
What is the SMILES notation for 2,2,4-trimethyl-1-methylsulfonylpyrrolidine?
The canonical SMILES for 2,2,4-trimethyl-1-methylsulfonylpyrrolidine is CC1CN(S(C)(=O)=O)C(C)(C)C1.
What is the InChIKey of 2,2,4-trimethyl-1-methylsulfonylpyrrolidine?
The InChIKey is HXDDQEMJQZOOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-7-5-8(2,3)9(6-7)12(4,10)11/h7H,5-6H2,1-4H3.
What are the key properties of 2,2,4-trimethyl-1-methylsulfonylpyrrolidine?
2,2,4-trimethyl-1-methylsulfonylpyrrolidine has a molecular weight of 191.30 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1-methylsulfonylpyrrolidine is sourced from PubChem (CID 126995484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).