3-tert-butyl-1-methylsulfonylpyrrolidine

C9H19NO2S — CID 20792959

IUPAC3-tert-butyl-1-methylsulfonylpyrrolidine
SMILESCC(C)(C)C1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C9H19NO2S/c1-9(2,3)8-5-6-10(7-8)13(4,11)12/h8H,5-7H2,1-4H3
InChIKeyHNIXRBASBDIEAF-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.31
Rot. Bonds1

About 3-tert-butyl-1-methylsulfonylpyrrolidine

3-tert-butyl-1-methylsulfonylpyrrolidine (PubChem CID 20792959) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 3-tert-butyl-1-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name3-tert-butyl-1-methylsulfonylpyrrolidine
PubChem CID20792959
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name3-tert-butyl-1-methylsulfonylpyrrolidine
SMILESCC(C)(C)C1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C9H19NO2S/c1-9(2,3)8-5-6-10(7-8)13(4,11)12/h8H,5-7H2,1-4H3
InChIKeyHNIXRBASBDIEAF-UHFFFAOYSA-N
XLogP1.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methylsulfonylpyrrolidine?
The IUPAC name of 3-tert-butyl-1-methylsulfonylpyrrolidine (CID 20792959) is 3-tert-butyl-1-methylsulfonylpyrrolidine.
What is the SMILES notation for 3-tert-butyl-1-methylsulfonylpyrrolidine?
The canonical SMILES for 3-tert-butyl-1-methylsulfonylpyrrolidine is CC(C)(C)C1CCN(S(C)(=O)=O)C1.
What is the InChIKey of 3-tert-butyl-1-methylsulfonylpyrrolidine?
The InChIKey is HNIXRBASBDIEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-9(2,3)8-5-6-10(7-8)13(4,11)12/h8H,5-7H2,1-4H3.
What are the key properties of 3-tert-butyl-1-methylsulfonylpyrrolidine?
3-tert-butyl-1-methylsulfonylpyrrolidine has a molecular weight of 205.32 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methylsulfonylpyrrolidine is sourced from PubChem (CID 20792959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).