3-(ethylsulfonylmethyl)pyrrolidine

C7H15NO2S — CID 84656221

IUPAC3-(ethylsulfonylmethyl)pyrrolidine
SMILESCCS(=O)(=O)CC1CCNC1
InChIInChI=1S/C7H15NO2S/c1-2-11(9,10)6-7-3-4-8-5-7/h7-8H,2-6H2,1H3
InChIKeyQXFKFIXMFKJBJX-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.03
Rot. Bonds3

About 3-(ethylsulfonylmethyl)pyrrolidine

3-(ethylsulfonylmethyl)pyrrolidine (PubChem CID 84656221) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 3-(ethylsulfonylmethyl)pyrrolidine.

Molecular Properties

Compound Name3-(ethylsulfonylmethyl)pyrrolidine
PubChem CID84656221
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name3-(ethylsulfonylmethyl)pyrrolidine
SMILESCCS(=O)(=O)CC1CCNC1
InChIInChI=1S/C7H15NO2S/c1-2-11(9,10)6-7-3-4-8-5-7/h7-8H,2-6H2,1H3
InChIKeyQXFKFIXMFKJBJX-UHFFFAOYSA-N
XLogP0.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(methylsulfonylmethyl)pyrrolidine
CID 124510073
ethane;3-ethylpyrrolidine
CID 143803201
ethane;3-ethylpyrrolidine;molecular hydrogen
CID 143963843
3-(butylsulfonylmethyl)piperidine
CID 82182109
N-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 66653276
N-[[(3R)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 55296076
5-ethylsulfonyl-1-pyrrolidin-3-ylpentan-2-one
CID 116583438
N-cyclopentyl-1-pyrrolidin-3-ylmethanesulfonamide
CID 115039136
4-(heptylsulfonylmethyl)piperidine
CID 82182021
3-ethylpyrrolidine;methanamine;(Z)-prop-1-en-1-amine
CID 143855109
5-(pyrrolidin-3-ylmethylsulfonylmethyl)-1,3-thiazole
CID 71645788
3-[(2,4,6-trimethylphenyl)sulfonylmethyl]pyrrolidine
CID 117036538

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfonylmethyl)pyrrolidine?
The IUPAC name of 3-(ethylsulfonylmethyl)pyrrolidine (CID 84656221) is 3-(ethylsulfonylmethyl)pyrrolidine.
What is the SMILES notation for 3-(ethylsulfonylmethyl)pyrrolidine?
The canonical SMILES for 3-(ethylsulfonylmethyl)pyrrolidine is CCS(=O)(=O)CC1CCNC1.
What is the InChIKey of 3-(ethylsulfonylmethyl)pyrrolidine?
The InChIKey is QXFKFIXMFKJBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-2-11(9,10)6-7-3-4-8-5-7/h7-8H,2-6H2,1H3.
What are the key properties of 3-(ethylsulfonylmethyl)pyrrolidine?
3-(ethylsulfonylmethyl)pyrrolidine has a molecular weight of 177.27 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfonylmethyl)pyrrolidine is sourced from PubChem (CID 84656221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).