5-(4,4-diethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one

C14H22N2O3S — CID 63162212

IUPAC5-(4,4-diethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCCC1(CC)CCN(S(=O)(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C14H22N2O3S/c1-3-14(4-2)7-9-16(10-8-14)20(18,19)12-5-6-13(17)15-11-12/h5-6,11H,3-4,7-10H2,1-2H3,(H,15,17)
InChIKeySWANDDOBQGIWCR-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.97
Rot. Bonds4

About 5-(4,4-diethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one

5-(4,4-diethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one (PubChem CID 63162212) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-(4,4-diethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4,4-diethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
PubChem CID63162212
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name5-(4,4-diethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCCC1(CC)CCN(S(=O)(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C14H22N2O3S/c1-3-14(4-2)7-9-16(10-8-14)20(18,19)12-5-6-13(17)15-11-12/h5-6,11H,3-4,7-10H2,1-2H3,(H,15,17)
InChIKeySWANDDOBQGIWCR-UHFFFAOYSA-N
XLogP1.97
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-hydroxy-4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one
CID 107405922
5-[(4-propanoyl-1,4-diazepan-1-yl)sulfonyl]-1H-pyridin-2-one
CID 61042486
4-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperazine-2,6-dione
CID 66063399
2-chloro-5-(4,4-diethylpiperidin-1-yl)sulfonylaniline
CID 63157067
1-(3-bromo-4-chlorophenyl)sulfonyl-4,4-diethylpiperidine
CID 106612253
1-(3-bromophenyl)sulfonyl-4,4-diethylpiperidine
CID 63421307
5-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
CID 63616386
2-(4,4-diethylpiperidin-1-yl)sulfonylaniline
CID 63156931
5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 107394155
5-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one
CID 60959349
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 112627112
5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 63174689

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-diethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
The IUPAC name of 5-(4,4-diethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one (CID 63162212) is 5-(4,4-diethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(4,4-diethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 5-(4,4-diethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one is CCC1(CC)CCN(S(=O)(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 5-(4,4-diethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
The InChIKey is SWANDDOBQGIWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-14(4-2)7-9-16(10-8-14)20(18,19)12-5-6-13(17)15-11-12/h5-6,11H,3-4,7-10H2,1-2H3,(H,15,17).
What are the key properties of 5-(4,4-diethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
5-(4,4-diethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one has a molecular weight of 298.41 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-diethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 63162212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).