(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

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Related Compounds

3-[(3,4-dimethoxypyrrolidin-1-yl)sulfonylmethyl]piperidine
CID 103535343
(3S,4S)-1-(2-cyclohexylethylsulfonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 122103662
[1-(2-piperidin-4-ylethylsulfonyl)pyrrolidin-3-yl]methanol
CID 112625660
N-[2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylethyl]cyclopropanamine
CID 102971594
[2-[(3,4-dimethoxypyrrolidin-1-yl)sulfonylmethyl]phenyl]methanamine
CID 103532632
N-[3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpropyl]cyclopropanamine
CID 102971420
(3S)-1-(3-methoxypropylsulfonyl)pyrrolidin-3-ol
CID 66291110
2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]sulfonylacetonitrile
CID 131142457
1-(2-cyclopentylethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 122068407
1-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine
CID 60891523
(3aR,7aS)-2-(2-methoxyethylsulfonyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 55014026
4-methoxy-1-(4-piperidin-4-ylbutylsulfonyl)piperidine
CID 70097741

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).