(3R,4R)-1-(2-cyclopropylethylsulfonyl)-3,4-dimethoxypyrrolidine

C11H21NO4S — CID 129345337

IUPAC(3R,4R)-1-(2-cyclopropylethylsulfonyl)-3,4-dimethoxypyrrolidine
SMILESCO[C@@H]1CN(S(=O)(=O)CCC2CC2)C[C@H]1OC
InChIInChI=1S/C11H21NO4S/c1-15-10-7-12(8-11(10)16-2)17(13,14)6-5-9-3-4-9/h9-11H,3-8H2,1-2H3/t10-,11-/m1/s1
InChIKeyUTCHESIIOLNEHG-GHMZBOCLSA-N
MW263.36 g/mol
LogP0.46
Rot. Bonds6

About (3R,4R)-1-(2-cyclopropylethylsulfonyl)-3,4-dimethoxypyrrolidine

(3R,4R)-1-(2-cyclopropylethylsulfonyl)-3,4-dimethoxypyrrolidine (PubChem CID 129345337) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is (3R,4R)-1-(2-cyclopropylethylsulfonyl)-3,4-dimethoxypyrrolidine.

Molecular Properties

Compound Name(3R,4R)-1-(2-cyclopropylethylsulfonyl)-3,4-dimethoxypyrrolidine
PubChem CID129345337
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name(3R,4R)-1-(2-cyclopropylethylsulfonyl)-3,4-dimethoxypyrrolidine
SMILESCO[C@@H]1CN(S(=O)(=O)CCC2CC2)C[C@H]1OC
InChIInChI=1S/C11H21NO4S/c1-15-10-7-12(8-11(10)16-2)17(13,14)6-5-9-3-4-9/h9-11H,3-8H2,1-2H3/t10-,11-/m1/s1
InChIKeyUTCHESIIOLNEHG-GHMZBOCLSA-N
XLogP0.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-1-(2-cyclopropylethylsulfonyl)-3,4-dimethoxypyrrolidine 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 (3R,4R)-1-(2-cyclopropylethylsulfonyl)-3,4-dimethoxypyrrolidine?
The IUPAC name of (3R,4R)-1-(2-cyclopropylethylsulfonyl)-3,4-dimethoxypyrrolidine (CID 129345337) is (3R,4R)-1-(2-cyclopropylethylsulfonyl)-3,4-dimethoxypyrrolidine.
What is the SMILES notation for (3R,4R)-1-(2-cyclopropylethylsulfonyl)-3,4-dimethoxypyrrolidine?
The canonical SMILES for (3R,4R)-1-(2-cyclopropylethylsulfonyl)-3,4-dimethoxypyrrolidine is CO[C@@H]1CN(S(=O)(=O)CCC2CC2)C[C@H]1OC.
What is the InChIKey of (3R,4R)-1-(2-cyclopropylethylsulfonyl)-3,4-dimethoxypyrrolidine?
The InChIKey is UTCHESIIOLNEHG-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-15-10-7-12(8-11(10)16-2)17(13,14)6-5-9-3-4-9/h9-11H,3-8H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (3R,4R)-1-(2-cyclopropylethylsulfonyl)-3,4-dimethoxypyrrolidine?
(3R,4R)-1-(2-cyclopropylethylsulfonyl)-3,4-dimethoxypyrrolidine has a molecular weight of 263.36 g/mol, XLogP of 0.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(2-cyclopropylethylsulfonyl)-3,4-dimethoxypyrrolidine is sourced from PubChem (CID 129345337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).