3-(cyclopropylmethoxy)-1-ethylsulfonylpyrrolidine

C10H19NO3S — CID 121197695

IUPAC3-(cyclopropylmethoxy)-1-ethylsulfonylpyrrolidine
SMILESCCS(=O)(=O)N1CCC(OCC2CC2)C1
InChIInChI=1S/C10H19NO3S/c1-2-15(12,13)11-6-5-10(7-11)14-8-9-3-4-9/h9-10H,2-8H2,1H3
InChIKeyLLXIZBVYLRSNEH-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.84
Rot. Bonds5

About 3-(cyclopropylmethoxy)-1-ethylsulfonylpyrrolidine

3-(cyclopropylmethoxy)-1-ethylsulfonylpyrrolidine (PubChem CID 121197695) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-1-ethylsulfonylpyrrolidine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-1-ethylsulfonylpyrrolidine
PubChem CID121197695
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name3-(cyclopropylmethoxy)-1-ethylsulfonylpyrrolidine
SMILESCCS(=O)(=O)N1CCC(OCC2CC2)C1
InChIInChI=1S/C10H19NO3S/c1-2-15(12,13)11-6-5-10(7-11)14-8-9-3-4-9/h9-10H,2-8H2,1H3
InChIKeyLLXIZBVYLRSNEH-UHFFFAOYSA-N
XLogP0.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylmethoxy)-1-pyrrolidin-1-ylsulfonylpyrrolidine
CID 121197774
(7S,8aS)-7-(cyclopropylmethoxy)-2-ethylsulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124895360
(7R,8aS)-7-(cyclopropylmethoxy)-2-ethylsulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124895359
1-(4-tert-butylphenyl)sulfonyl-3-(cyclopropylmethoxy)pyrrolidine
CID 121197737
3-(cyclopropylmethoxy)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
CID 121197707
(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-3-(cyclopropylmethoxy)pyrrolidine
CID 129357025
(3R)-1-ethylsulfonyl-3-(3-phenylpropoxy)pyrrolidine
CID 96563395
3-(cyclopropylmethoxy)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine
CID 121197715
3-(cyclopropylmethoxy)-1-(4-ethoxy-3-fluorophenyl)sulfonylpyrrolidine
CID 121197743
4-[(1R)-2-[2-[(3S)-1-ethylsulfonylpyrrolidin-3-yl]oxyethyl]cyclopropyl]piperidine
CID 126693796
3-(cyclopropylmethoxy)-1-(2,4-difluorophenyl)sulfonylpyrrolidine
CID 121197755
3-(cyclopropylmethoxy)-N-propylpyrrolidine-1-carboxamide
CID 121197651

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-1-ethylsulfonylpyrrolidine?
The IUPAC name of 3-(cyclopropylmethoxy)-1-ethylsulfonylpyrrolidine (CID 121197695) is 3-(cyclopropylmethoxy)-1-ethylsulfonylpyrrolidine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-1-ethylsulfonylpyrrolidine?
The canonical SMILES for 3-(cyclopropylmethoxy)-1-ethylsulfonylpyrrolidine is CCS(=O)(=O)N1CCC(OCC2CC2)C1.
What is the InChIKey of 3-(cyclopropylmethoxy)-1-ethylsulfonylpyrrolidine?
The InChIKey is LLXIZBVYLRSNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-2-15(12,13)11-6-5-10(7-11)14-8-9-3-4-9/h9-10H,2-8H2,1H3.
What are the key properties of 3-(cyclopropylmethoxy)-1-ethylsulfonylpyrrolidine?
3-(cyclopropylmethoxy)-1-ethylsulfonylpyrrolidine has a molecular weight of 233.33 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-1-ethylsulfonylpyrrolidine is sourced from PubChem (CID 121197695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).