1-(1-ethylsulfonylpyrrolidin-3-yl)ethanone

C8H15NO3S — CID 122244984

IUPAC1-(1-ethylsulfonylpyrrolidin-3-yl)ethanone
SMILESCCS(=O)(=O)N1CCC(C(C)=O)C1
InChIInChI=1S/C8H15NO3S/c1-3-13(11,12)9-5-4-8(6-9)7(2)10/h8H,3-6H2,1-2H3
InChIKeyDQAGGMCNSOOMCX-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.25
Rot. Bonds3

About 1-(1-ethylsulfonylpyrrolidin-3-yl)ethanone

1-(1-ethylsulfonylpyrrolidin-3-yl)ethanone (PubChem CID 122244984) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is 1-(1-ethylsulfonylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-ethylsulfonylpyrrolidin-3-yl)ethanone
PubChem CID122244984
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name1-(1-ethylsulfonylpyrrolidin-3-yl)ethanone
SMILESCCS(=O)(=O)N1CCC(C(C)=O)C1
InChIInChI=1S/C8H15NO3S/c1-3-13(11,12)9-5-4-8(6-9)7(2)10/h8H,3-6H2,1-2H3
InChIKeyDQAGGMCNSOOMCX-UHFFFAOYSA-N
XLogP0.25
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]ethanone
CID 82842240
1-[1-(3-methylbutylsulfonyl)piperidin-4-yl]ethanone
CID 63846086
1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
CID 113003863
1-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 59841135
1-pentylsulfonylpyrrolidine-3-carboxylic acid
CID 122068573
1-[1-(azepan-1-ylsulfonyl)piperidin-3-yl]ethanone
CID 63846938
ethyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 17022443
1-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]ethanone
CID 83057913
methyl 4-(3-acetylpiperidin-1-yl)sulfonylbutanoate
CID 63852603
N-cyclopropyl-1-ethylsulfonylpiperidine-3-carboxamide
CID 3497697
1-ethylsulfonyl-N-methylpyrrolidin-3-amine
CID 83698131
1-ethylsulfonyl-N,N-dipropylpiperidine-4-carboxamide
CID 113005924

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylsulfonylpyrrolidin-3-yl)ethanone?
The IUPAC name of 1-(1-ethylsulfonylpyrrolidin-3-yl)ethanone (CID 122244984) is 1-(1-ethylsulfonylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 1-(1-ethylsulfonylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 1-(1-ethylsulfonylpyrrolidin-3-yl)ethanone is CCS(=O)(=O)N1CCC(C(C)=O)C1.
What is the InChIKey of 1-(1-ethylsulfonylpyrrolidin-3-yl)ethanone?
The InChIKey is DQAGGMCNSOOMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-3-13(11,12)9-5-4-8(6-9)7(2)10/h8H,3-6H2,1-2H3.
What are the key properties of 1-(1-ethylsulfonylpyrrolidin-3-yl)ethanone?
1-(1-ethylsulfonylpyrrolidin-3-yl)ethanone has a molecular weight of 205.28 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylsulfonylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 122244984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).