1-[(2S)-2-ethylpiperidin-1-yl]-2-pyridin-2-ylsulfanylethanone

C14H20N2OS — CID 51916299

IUPAC1-[(2S)-2-ethylpiperidin-1-yl]-2-pyridin-2-ylsulfanylethanone
SMILESCC[C@H]1CCCCN1C(=O)CSc1ccccn1
InChIInChI=1S/C14H20N2OS/c1-2-12-7-4-6-10-16(12)14(17)11-18-13-8-3-5-9-15-13/h3,5,8-9,12H,2,4,6-7,10-11H2,1H3/t12-/m0/s1
InChIKeyGKJZJFMUVXBMQP-LBPRGKRZSA-N
MW264.39 g/mol
LogP2.96
Rot. Bonds4

About 1-[(2S)-2-ethylpiperidin-1-yl]-2-pyridin-2-ylsulfanylethanone

1-[(2S)-2-ethylpiperidin-1-yl]-2-pyridin-2-ylsulfanylethanone (PubChem CID 51916299) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[(2S)-2-ethylpiperidin-1-yl]-2-pyridin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-[(2S)-2-ethylpiperidin-1-yl]-2-pyridin-2-ylsulfanylethanone
PubChem CID51916299
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name1-[(2S)-2-ethylpiperidin-1-yl]-2-pyridin-2-ylsulfanylethanone
SMILESCC[C@H]1CCCCN1C(=O)CSc1ccccn1
InChIInChI=1S/C14H20N2OS/c1-2-12-7-4-6-10-16(12)14(17)11-18-13-8-3-5-9-15-13/h3,5,8-9,12H,2,4,6-7,10-11H2,1H3/t12-/m0/s1
InChIKeyGKJZJFMUVXBMQP-LBPRGKRZSA-N
XLogP2.96
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-ethylpiperidin-1-yl]-2-[(4-propyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 1456361
1-[(2R)-2-ethylpiperidin-1-yl]-2-quinazolin-4-ylsulfanylethanone
CID 2403913
1-[(2S)-2-ethylpiperidin-1-yl]-2-quinazolin-4-ylsulfanylethanone
CID 2403911
2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 2350852
1-(2-ethylpiperidin-1-yl)-2-methylsulfanylethanone
CID 42891834
2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 1432571
2-(4-aminophenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
CID 43299054
1-[(2S)-2-ethylpiperidin-1-yl]-2-(3-methylquinolin-2-yl)sulfanylethanone
CID 860340
2-(3-aminophenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
CID 18894939
2-pyridin-2-ylsulfanyl-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 47110609
1-[(2R)-2-ethylpiperidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylethanone
CID 7915631
2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
CID 2054014

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-ethylpiperidin-1-yl]-2-pyridin-2-ylsulfanylethanone?
The IUPAC name of 1-[(2S)-2-ethylpiperidin-1-yl]-2-pyridin-2-ylsulfanylethanone (CID 51916299) is 1-[(2S)-2-ethylpiperidin-1-yl]-2-pyridin-2-ylsulfanylethanone.
What is the SMILES notation for 1-[(2S)-2-ethylpiperidin-1-yl]-2-pyridin-2-ylsulfanylethanone?
The canonical SMILES for 1-[(2S)-2-ethylpiperidin-1-yl]-2-pyridin-2-ylsulfanylethanone is CC[C@H]1CCCCN1C(=O)CSc1ccccn1.
What is the InChIKey of 1-[(2S)-2-ethylpiperidin-1-yl]-2-pyridin-2-ylsulfanylethanone?
The InChIKey is GKJZJFMUVXBMQP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-2-12-7-4-6-10-16(12)14(17)11-18-13-8-3-5-9-15-13/h3,5,8-9,12H,2,4,6-7,10-11H2,1H3/t12-/m0/s1.
What are the key properties of 1-[(2S)-2-ethylpiperidin-1-yl]-2-pyridin-2-ylsulfanylethanone?
1-[(2S)-2-ethylpiperidin-1-yl]-2-pyridin-2-ylsulfanylethanone has a molecular weight of 264.39 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-ethylpiperidin-1-yl]-2-pyridin-2-ylsulfanylethanone is sourced from PubChem (CID 51916299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).