3-tert-butyl-1-tert-butylsulfonylpyrrolidine

C12H25NO2S — CID 59831550

IUPAC3-tert-butyl-1-tert-butylsulfonylpyrrolidine
SMILESCC(C)(C)C1CCN(S(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C12H25NO2S/c1-11(2,3)10-7-8-13(9-10)16(14,15)12(4,5)6/h10H,7-9H2,1-6H3
InChIKeyPMVDYDOJCZLGEE-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.48
Rot. Bonds1

About 3-tert-butyl-1-tert-butylsulfonylpyrrolidine

3-tert-butyl-1-tert-butylsulfonylpyrrolidine (PubChem CID 59831550) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 3-tert-butyl-1-tert-butylsulfonylpyrrolidine.

Molecular Properties

Compound Name3-tert-butyl-1-tert-butylsulfonylpyrrolidine
PubChem CID59831550
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name3-tert-butyl-1-tert-butylsulfonylpyrrolidine
SMILESCC(C)(C)C1CCN(S(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C12H25NO2S/c1-11(2,3)10-7-8-13(9-10)16(14,15)12(4,5)6/h10H,7-9H2,1-6H3
InChIKeyPMVDYDOJCZLGEE-UHFFFAOYSA-N
XLogP2.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-1-tert-butylsulfonylpyrrolidine 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 3-tert-butyl-1-tert-butylsulfonylpyrrolidine?
The IUPAC name of 3-tert-butyl-1-tert-butylsulfonylpyrrolidine (CID 59831550) is 3-tert-butyl-1-tert-butylsulfonylpyrrolidine.
What is the SMILES notation for 3-tert-butyl-1-tert-butylsulfonylpyrrolidine?
The canonical SMILES for 3-tert-butyl-1-tert-butylsulfonylpyrrolidine is CC(C)(C)C1CCN(S(=O)(=O)C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-1-tert-butylsulfonylpyrrolidine?
The InChIKey is PMVDYDOJCZLGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-11(2,3)10-7-8-13(9-10)16(14,15)12(4,5)6/h10H,7-9H2,1-6H3.
What are the key properties of 3-tert-butyl-1-tert-butylsulfonylpyrrolidine?
3-tert-butyl-1-tert-butylsulfonylpyrrolidine has a molecular weight of 247.40 g/mol, XLogP of 2.48, 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-tert-butylsulfonylpyrrolidine is sourced from PubChem (CID 59831550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).