1-(2-methyl-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone

C14H20N2O3S — CID 105116188

IUPAC1-(2-methyl-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
SMILESCc1ncccc1C(=O)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C14H20N2O3S/c1-11-13(6-3-7-15-11)14(17)9-12-5-4-8-16(10-12)20(2,18)19/h3,6-7,12H,4-5,8-10H2,1-2H3
InChIKeyWHTQVCCPQKJDGI-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.63
Rot. Bonds4

About 1-(2-methyl-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone

1-(2-methyl-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone (PubChem CID 105116188) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-(2-methyl-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
PubChem CID105116188
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name1-(2-methyl-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
SMILESCc1ncccc1C(=O)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C14H20N2O3S/c1-11-13(6-3-7-15-11)14(17)9-12-5-4-8-16(10-12)20(2,18)19/h3,6-7,12H,4-5,8-10H2,1-2H3
InChIKeyWHTQVCCPQKJDGI-UHFFFAOYSA-N
XLogP1.63
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylsulfanylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 115784266
1-(4-aminophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 116548748
1-(2,5-dichlorothiophen-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 107967700
methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
CID 106942546
1-(5-ethylthiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 115784268
3-[(1-methylsulfonylpiperidin-3-yl)methoxy]pyridin-2-amine
CID 79604536
3-[3-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-pyridinyl]benzoic acid
CID 110120284
2-(1-methylsulfonylpiperidin-3-yl)-1-pyrimidin-2-ylethanamine
CID 79610285
1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 116585133
1-(3-ethyl-2-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 82732453
2-(2-methylphenyl)-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazine
CID 110257699
1-(4-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one
CID 79611252

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone?
The IUPAC name of 1-(2-methyl-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone (CID 105116188) is 1-(2-methyl-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone?
The canonical SMILES for 1-(2-methyl-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone is Cc1ncccc1C(=O)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 1-(2-methyl-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone?
The InChIKey is WHTQVCCPQKJDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11-13(6-3-7-15-11)14(17)9-12-5-4-8-16(10-12)20(2,18)19/h3,6-7,12H,4-5,8-10H2,1-2H3.
What are the key properties of 1-(2-methyl-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone?
1-(2-methyl-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone has a molecular weight of 296.39 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone is sourced from PubChem (CID 105116188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).