2-methyl-1-propylsulfonylpyrrolidine

C8H17NO2S — CID 58733457

IUPAC2-methyl-1-propylsulfonylpyrrolidine
SMILESCCCS(=O)(=O)N1CCCC1C
InChIInChI=1S/C8H17NO2S/c1-3-7-12(10,11)9-6-4-5-8(9)2/h8H,3-7H2,1-2H3
InChIKeyPJEWXLRIWJCFPY-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.21
Rot. Bonds3

About 2-methyl-1-propylsulfonylpyrrolidine

2-methyl-1-propylsulfonylpyrrolidine (PubChem CID 58733457) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-methyl-1-propylsulfonylpyrrolidine.

Molecular Properties

Compound Name2-methyl-1-propylsulfonylpyrrolidine
PubChem CID58733457
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name2-methyl-1-propylsulfonylpyrrolidine
SMILESCCCS(=O)(=O)N1CCCC1C
InChIInChI=1S/C8H17NO2S/c1-3-7-12(10,11)9-6-4-5-8(9)2/h8H,3-7H2,1-2H3
InChIKeyPJEWXLRIWJCFPY-UHFFFAOYSA-N
XLogP1.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-propylsulfonylpyrrolidine 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 2-methyl-1-propylsulfonylpyrrolidine?
The IUPAC name of 2-methyl-1-propylsulfonylpyrrolidine (CID 58733457) is 2-methyl-1-propylsulfonylpyrrolidine.
What is the SMILES notation for 2-methyl-1-propylsulfonylpyrrolidine?
The canonical SMILES for 2-methyl-1-propylsulfonylpyrrolidine is CCCS(=O)(=O)N1CCCC1C.
What is the InChIKey of 2-methyl-1-propylsulfonylpyrrolidine?
The InChIKey is PJEWXLRIWJCFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-3-7-12(10,11)9-6-4-5-8(9)2/h8H,3-7H2,1-2H3.
What are the key properties of 2-methyl-1-propylsulfonylpyrrolidine?
2-methyl-1-propylsulfonylpyrrolidine has a molecular weight of 191.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propylsulfonylpyrrolidine is sourced from PubChem (CID 58733457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).