1-(2-ethylpiperidin-1-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

C14H24N4OS — CID 47138885

IUPAC1-(2-ethylpiperidin-1-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one
SMILESCCc1nc(SC(C)C(=O)N2CCCCC2CC)n[nH]1
InChIInChI=1S/C14H24N4OS/c1-4-11-8-6-7-9-18(11)13(19)10(3)20-14-15-12(5-2)16-17-14/h10-11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyJUHBPXOZIBVIHW-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.64
Rot. Bonds5

About 1-(2-ethylpiperidin-1-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

1-(2-ethylpiperidin-1-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one (PubChem CID 47138885) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one
PubChem CID47138885
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one
SMILESCCc1nc(SC(C)C(=O)N2CCCCC2CC)n[nH]1
InChIInChI=1S/C14H24N4OS/c1-4-11-8-6-7-9-18(11)13(19)10(3)20-14-15-12(5-2)16-17-14/h10-11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyJUHBPXOZIBVIHW-UHFFFAOYSA-N
XLogP2.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-ethylpiperidin-1-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one with MolForge

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Related Compounds

(2-ethylazepan-1-yl)-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone
CID 104691203
1-(2-ethylpiperidin-1-yl)-2-(2-fluorophenyl)sulfanylpropan-1-one
CID 112778414
(2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylpropan-1-one
CID 93250399
1-(2-ethylpiperidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propan-1-one
CID 46545523
(2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one
CID 104689769
1-(2-ethylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylpropan-1-one
CID 78761223
1-(2-ethylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one
CID 78765300
1-(2-ethylpiperidin-1-yl)-3-methyl-2-sulfanylbutan-1-one
CID 107022382
2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 78764369
1-(2-ethylpiperidin-1-yl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 78759737
2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 78762737
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 112783376

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one (CID 47138885) is 1-(2-ethylpiperidin-1-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one is CCc1nc(SC(C)C(=O)N2CCCCC2CC)n[nH]1.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one?
The InChIKey is JUHBPXOZIBVIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-4-11-8-6-7-9-18(11)13(19)10(3)20-14-15-12(5-2)16-17-14/h10-11H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one?
1-(2-ethylpiperidin-1-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one has a molecular weight of 296.44 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one is sourced from PubChem (CID 47138885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).