3-ethyl-1-(2-methylsulfonylethylsulfonyl)piperidin-4-one

C10H19NO5S2 — CID 114508541

IUPAC3-ethyl-1-(2-methylsulfonylethylsulfonyl)piperidin-4-one
SMILESCCC1CN(S(=O)(=O)CCS(C)(=O)=O)CCC1=O
InChIInChI=1S/C10H19NO5S2/c1-3-9-8-11(5-4-10(9)12)18(15,16)7-6-17(2,13)14/h9H,3-8H2,1-2H3
InChIKeyVOMOZIVDYBNJCB-UHFFFAOYSA-N
MW297.40 g/mol
LogP-0.34
Rot. Bonds5

About 3-ethyl-1-(2-methylsulfonylethylsulfonyl)piperidin-4-one

3-ethyl-1-(2-methylsulfonylethylsulfonyl)piperidin-4-one (PubChem CID 114508541) has the molecular formula C10H19NO5S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-ethyl-1-(2-methylsulfonylethylsulfonyl)piperidin-4-one.

Molecular Properties

Compound Name3-ethyl-1-(2-methylsulfonylethylsulfonyl)piperidin-4-one
PubChem CID114508541
Molecular FormulaC10H19NO5S2
Molecular Weight297.40 g/mol
Exact Mass297.07
IUPAC Name3-ethyl-1-(2-methylsulfonylethylsulfonyl)piperidin-4-one
SMILESCCC1CN(S(=O)(=O)CCS(C)(=O)=O)CCC1=O
InChIInChI=1S/C10H19NO5S2/c1-3-9-8-11(5-4-10(9)12)18(15,16)7-6-17(2,13)14/h9H,3-8H2,1-2H3
InChIKeyVOMOZIVDYBNJCB-UHFFFAOYSA-N
XLogP-0.34
TPSA88.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-propylsulfonylpiperidin-4-one
CID 114500092
N-(3-ethyl-1-propylsulfonylpiperidin-4-ylidene)hydroxylamine
CID 104931372
3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-one
CID 114508574
N-[1-(3,3-dimethylbutylsulfonyl)-3-ethylpiperidin-4-ylidene]hydroxylamine
CID 103521276
3-(bromomethyl)-1-(2-methylsulfonylethylsulfonyl)pyrrolidine
CID 80674505
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3-ethylpiperidin-4-one
CID 114508506
1-(2-methylsulfonylethylsulfonyl)azepane
CID 64592112
methyl 1-(2-methylsulfonylethylsulfonyl)pyrrolidine-3-carboxylate
CID 79033119
3-ethyl-1-(4-methylsulfonylphenyl)piperidin-4-one
CID 121456160
3-ethyl-1-(2-nitrophenyl)sulfonylpiperidin-4-one
CID 114508484
5-(3-ethyl-4-oxopiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 106272217
3-ethyl-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidin-4-one
CID 114508593

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methylsulfonylethylsulfonyl)piperidin-4-one?
The IUPAC name of 3-ethyl-1-(2-methylsulfonylethylsulfonyl)piperidin-4-one (CID 114508541) is 3-ethyl-1-(2-methylsulfonylethylsulfonyl)piperidin-4-one.
What is the SMILES notation for 3-ethyl-1-(2-methylsulfonylethylsulfonyl)piperidin-4-one?
The canonical SMILES for 3-ethyl-1-(2-methylsulfonylethylsulfonyl)piperidin-4-one is CCC1CN(S(=O)(=O)CCS(C)(=O)=O)CCC1=O.
What is the InChIKey of 3-ethyl-1-(2-methylsulfonylethylsulfonyl)piperidin-4-one?
The InChIKey is VOMOZIVDYBNJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S2/c1-3-9-8-11(5-4-10(9)12)18(15,16)7-6-17(2,13)14/h9H,3-8H2,1-2H3.
What are the key properties of 3-ethyl-1-(2-methylsulfonylethylsulfonyl)piperidin-4-one?
3-ethyl-1-(2-methylsulfonylethylsulfonyl)piperidin-4-one has a molecular weight of 297.40 g/mol, XLogP of -0.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methylsulfonylethylsulfonyl)piperidin-4-one is sourced from PubChem (CID 114508541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).