1-(3-ethoxypiperidin-1-yl)-3-sulfanylpropan-1-one

C10H19NO2S — CID 107026169

IUPAC1-(3-ethoxypiperidin-1-yl)-3-sulfanylpropan-1-one
SMILESCCOC1CCCN(C(=O)CCS)C1
InChIInChI=1S/C10H19NO2S/c1-2-13-9-4-3-6-11(8-9)10(12)5-7-14/h9,14H,2-8H2,1H3
InChIKeyPRPUCXGSAQNLAE-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.33
Rot. Bonds4

About 1-(3-ethoxypiperidin-1-yl)-3-sulfanylpropan-1-one

1-(3-ethoxypiperidin-1-yl)-3-sulfanylpropan-1-one (PubChem CID 107026169) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 1-(3-ethoxypiperidin-1-yl)-3-sulfanylpropan-1-one.

Molecular Properties

Compound Name1-(3-ethoxypiperidin-1-yl)-3-sulfanylpropan-1-one
PubChem CID107026169
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name1-(3-ethoxypiperidin-1-yl)-3-sulfanylpropan-1-one
SMILESCCOC1CCCN(C(=O)CCS)C1
InChIInChI=1S/C10H19NO2S/c1-2-13-9-4-3-6-11(8-9)10(12)5-7-14/h9,14H,2-8H2,1H3
InChIKeyPRPUCXGSAQNLAE-UHFFFAOYSA-N
XLogP1.33
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-(3-ethoxypiperidin-1-yl)butan-1-one
CID 63308584
7-amino-1-(3-ethoxypiperidin-1-yl)heptan-1-one
CID 54990000
1-(3-ethoxypiperidin-1-yl)-2-propylsulfanylethanone
CID 47737118
2-(cyclopropylmethylamino)-1-(3-ethoxypiperidin-1-yl)ethanone
CID 54990051
tert-butyl N-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]carbamate
CID 47736405
2-(1-aminocyclopentyl)-1-(3-ethoxypiperidin-1-yl)ethanone
CID 64677827
cyclobutyl-(3-ethoxypiperidin-1-yl)methanone
CID 46153649
1-(3-ethoxypiperidin-1-yl)prop-2-yn-1-one
CID 130611611
1-(3-ethoxypiperidin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 80550106
3-[(3-ethoxypiperidine-1-carbonyl)-ethylamino]propanoic acid
CID 54990119
1-[(3R)-3-ethoxypyrrolidin-1-yl]ethanone
CID 57091302
1-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one
CID 56819857

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypiperidin-1-yl)-3-sulfanylpropan-1-one?
The IUPAC name of 1-(3-ethoxypiperidin-1-yl)-3-sulfanylpropan-1-one (CID 107026169) is 1-(3-ethoxypiperidin-1-yl)-3-sulfanylpropan-1-one.
What is the SMILES notation for 1-(3-ethoxypiperidin-1-yl)-3-sulfanylpropan-1-one?
The canonical SMILES for 1-(3-ethoxypiperidin-1-yl)-3-sulfanylpropan-1-one is CCOC1CCCN(C(=O)CCS)C1.
What is the InChIKey of 1-(3-ethoxypiperidin-1-yl)-3-sulfanylpropan-1-one?
The InChIKey is PRPUCXGSAQNLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-2-13-9-4-3-6-11(8-9)10(12)5-7-14/h9,14H,2-8H2,1H3.
What are the key properties of 1-(3-ethoxypiperidin-1-yl)-3-sulfanylpropan-1-one?
1-(3-ethoxypiperidin-1-yl)-3-sulfanylpropan-1-one has a molecular weight of 217.33 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypiperidin-1-yl)-3-sulfanylpropan-1-one is sourced from PubChem (CID 107026169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).