1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone

C15H22N2OS — CID 95299053

IUPAC1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)CSCc1ccccn1
InChIInChI=1S/C15H22N2OS/c1-12-6-5-7-13(2)17(12)15(18)11-19-10-14-8-3-4-9-16-14/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyXDACKUUMWWFCEH-CHWSQXEVSA-N
MW278.42 g/mol
LogP3.10
Rot. Bonds4

About 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone

1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone (PubChem CID 95299053) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone
PubChem CID95299053
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)CSCc1ccccn1
InChIInChI=1S/C15H22N2OS/c1-12-6-5-7-13(2)17(12)15(18)11-19-10-14-8-3-4-9-16-14/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyXDACKUUMWWFCEH-CHWSQXEVSA-N
XLogP3.10
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone with MolForge

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Related Compounds

1-(2,6-dimethylpiperidin-1-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 134055432
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-pyrimidin-2-ylsulfanylethanone
CID 2355238
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone
CID 119518141
3-[[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanylmethyl]-1H-quinolin-2-one
CID 97092188
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone;dihydrochloride
CID 119632151
2,6-dimethyl-N-(2-pyridin-2-ylethyl)piperidin-1-amine
CID 83013889
N-(2-methylpiperidin-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 120573924
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone;dihydrochloride
CID 119544074
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(pyridin-2-ylmethylsulfanyl)ethanone;dihydrochloride
CID 120814691
2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 112808405
2-(pyridin-2-ylmethylsulfanylmethyl)pyridine
CID 12047870
N-methyl-N-piperidin-4-yl-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride
CID 119442281

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone?
The IUPAC name of 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone (CID 95299053) is 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone.
What is the SMILES notation for 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone?
The canonical SMILES for 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone is C[C@@H]1CCC[C@@H](C)N1C(=O)CSCc1ccccn1.
What is the InChIKey of 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone?
The InChIKey is XDACKUUMWWFCEH-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-12-6-5-7-13(2)17(12)15(18)11-19-10-14-8-3-4-9-16-14/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone?
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone has a molecular weight of 278.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone is sourced from PubChem (CID 95299053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).