3-(cyclopropylmethoxy)-1-pyrrolidin-1-ylsulfonylpyrrolidine

C12H22N2O3S — CID 121197774

IUPAC3-(cyclopropylmethoxy)-1-pyrrolidin-1-ylsulfonylpyrrolidine
SMILESO=S(=O)(N1CCCC1)N1CCC(OCC2CC2)C1
InChIInChI=1S/C12H22N2O3S/c15-18(16,13-6-1-2-7-13)14-8-5-12(9-14)17-10-11-3-4-11/h11-12H,1-10H2
InChIKeyHJSDPWGMLHJMRE-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.83
Rot. Bonds5

About 3-(cyclopropylmethoxy)-1-pyrrolidin-1-ylsulfonylpyrrolidine

3-(cyclopropylmethoxy)-1-pyrrolidin-1-ylsulfonylpyrrolidine (PubChem CID 121197774) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-1-pyrrolidin-1-ylsulfonylpyrrolidine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-1-pyrrolidin-1-ylsulfonylpyrrolidine
PubChem CID121197774
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name3-(cyclopropylmethoxy)-1-pyrrolidin-1-ylsulfonylpyrrolidine
SMILESO=S(=O)(N1CCCC1)N1CCC(OCC2CC2)C1
InChIInChI=1S/C12H22N2O3S/c15-18(16,13-6-1-2-7-13)14-8-5-12(9-14)17-10-11-3-4-11/h11-12H,1-10H2
InChIKeyHJSDPWGMLHJMRE-UHFFFAOYSA-N
XLogP0.83
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(cyclopropylmethoxy)-1-pyrrolidin-1-ylsulfonylpyrrolidine 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-(cyclopropylmethoxy)-1-pyrrolidin-1-ylsulfonylpyrrolidine?
The IUPAC name of 3-(cyclopropylmethoxy)-1-pyrrolidin-1-ylsulfonylpyrrolidine (CID 121197774) is 3-(cyclopropylmethoxy)-1-pyrrolidin-1-ylsulfonylpyrrolidine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-1-pyrrolidin-1-ylsulfonylpyrrolidine?
The canonical SMILES for 3-(cyclopropylmethoxy)-1-pyrrolidin-1-ylsulfonylpyrrolidine is O=S(=O)(N1CCCC1)N1CCC(OCC2CC2)C1.
What is the InChIKey of 3-(cyclopropylmethoxy)-1-pyrrolidin-1-ylsulfonylpyrrolidine?
The InChIKey is HJSDPWGMLHJMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c15-18(16,13-6-1-2-7-13)14-8-5-12(9-14)17-10-11-3-4-11/h11-12H,1-10H2.
What are the key properties of 3-(cyclopropylmethoxy)-1-pyrrolidin-1-ylsulfonylpyrrolidine?
3-(cyclopropylmethoxy)-1-pyrrolidin-1-ylsulfonylpyrrolidine has a molecular weight of 274.39 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-1-pyrrolidin-1-ylsulfonylpyrrolidine is sourced from PubChem (CID 121197774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).