(6R)-6-ethylsulfonylpiperidin-2-one

C7H13NO3S — CID 99990598

IUPAC(6R)-6-ethylsulfonylpiperidin-2-one
SMILESCCS(=O)(=O)[C@@H]1CCCC(=O)N1
InChIInChI=1S/C7H13NO3S/c1-2-12(10,11)7-5-3-4-6(9)8-7/h7H,2-5H2,1H3,(H,8,9)/t7-/m1/s1
InChIKeyIHWQVXCQMNWHHE-SSDOTTSWSA-N
MW191.25 g/mol
LogP0.05
Rot. Bonds2

About (6R)-6-ethylsulfonylpiperidin-2-one

(6R)-6-ethylsulfonylpiperidin-2-one (PubChem CID 99990598) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is (6R)-6-ethylsulfonylpiperidin-2-one.

Molecular Properties

Compound Name(6R)-6-ethylsulfonylpiperidin-2-one
PubChem CID99990598
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name(6R)-6-ethylsulfonylpiperidin-2-one
SMILESCCS(=O)(=O)[C@@H]1CCCC(=O)N1
InChIInChI=1S/C7H13NO3S/c1-2-12(10,11)7-5-3-4-6(9)8-7/h7H,2-5H2,1H3,(H,8,9)/t7-/m1/s1
InChIKeyIHWQVXCQMNWHHE-SSDOTTSWSA-N
XLogP0.05
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methylpiperidin-2-one;propane
CID 142225224
[(2S)-5-oxopyrrolidin-2-yl] ethanesulfonate
CID 174736299
6-(iodomethyl)piperidin-2-one
CID 10933573
6-(methylaminomethyl)piperidin-2-one;dihydrobromide
CID 138059127
1-ethylsulfonyl-3-methylidenecyclohexane
CID 91572063
1-[2,6-di(propan-2-yl)phenyl]-3-(6-oxopiperidin-2-yl)sulfonylurea
CID 137402945
ethane;6-oxopiperidine-2-carboxylic acid
CID 143229288
ethylsulfonylcyclopropane
CID 12063392
6-[[ethoxy(sulfanyl)methoxy]methyl]piperidin-2-one
CID 142921884
5-propylsulfanylpyrrolidin-2-one
CID 19868701
(6S)-6-(phosphanyloxymethyl)piperidin-2-one
CID 142175723
2-(dipropylamino)cyclopentan-1-one
CID 43794618

Frequently Asked Questions

What is the IUPAC name of (6R)-6-ethylsulfonylpiperidin-2-one?
The IUPAC name of (6R)-6-ethylsulfonylpiperidin-2-one (CID 99990598) is (6R)-6-ethylsulfonylpiperidin-2-one.
What is the SMILES notation for (6R)-6-ethylsulfonylpiperidin-2-one?
The canonical SMILES for (6R)-6-ethylsulfonylpiperidin-2-one is CCS(=O)(=O)[C@@H]1CCCC(=O)N1.
What is the InChIKey of (6R)-6-ethylsulfonylpiperidin-2-one?
The InChIKey is IHWQVXCQMNWHHE-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-2-12(10,11)7-5-3-4-6(9)8-7/h7H,2-5H2,1H3,(H,8,9)/t7-/m1/s1.
What are the key properties of (6R)-6-ethylsulfonylpiperidin-2-one?
(6R)-6-ethylsulfonylpiperidin-2-one has a molecular weight of 191.25 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-ethylsulfonylpiperidin-2-one is sourced from PubChem (CID 99990598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).