ethyl 3-piperidin-1-yl-3-sulfanylidenepropanoate

C10H17NO2S — CID 12716081

IUPACethyl 3-piperidin-1-yl-3-sulfanylidenepropanoate
SMILESCCOC(=O)CC(=S)N1CCCCC1
InChIInChI=1S/C10H17NO2S/c1-2-13-10(12)8-9(14)11-6-4-3-5-7-11/h2-8H2,1H3
InChIKeySKEDIQKXJOIOSC-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.75
Rot. Bonds3

About ethyl 3-piperidin-1-yl-3-sulfanylidenepropanoate

ethyl 3-piperidin-1-yl-3-sulfanylidenepropanoate (PubChem CID 12716081) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is ethyl 3-piperidin-1-yl-3-sulfanylidenepropanoate.

Molecular Properties

Compound Nameethyl 3-piperidin-1-yl-3-sulfanylidenepropanoate
PubChem CID12716081
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Nameethyl 3-piperidin-1-yl-3-sulfanylidenepropanoate
SMILESCCOC(=O)CC(=S)N1CCCCC1
InChIInChI=1S/C10H17NO2S/c1-2-13-10(12)8-9(14)11-6-4-3-5-7-11/h2-8H2,1H3
InChIKeySKEDIQKXJOIOSC-UHFFFAOYSA-N
XLogP1.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-morpholin-4-yl-3-sulfanylidenepropanoate
CID 131855286
ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl 3-(piperidine-1-carbothioylsulfanyl)propanoate
CID 15906003
ethyl 3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbutanoate
CID 113249316
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
ethyl 2-(azocan-1-yl)acetate
CID 25219274
ethyl 2-[methyl(piperidine-1-carbonyl)amino]acetate
CID 78984916
ethyl 4-formyl-3,5-dioxo-5-pyrrolidin-1-ylpentanoate
CID 91595716
ethyl 4-oxo-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]butanoate
CID 115583830
ethyl 4-morpholin-4-yl-4-sulfanylidenebutanoate
CID 102474197
ethyl azetidine-1-carboxylate
CID 14088501
1-(4-ethoxy-4-oxobutanoyl)piperidine-3-carboxylic acid
CID 43355863

Frequently Asked Questions

What is the IUPAC name of ethyl 3-piperidin-1-yl-3-sulfanylidenepropanoate?
The IUPAC name of ethyl 3-piperidin-1-yl-3-sulfanylidenepropanoate (CID 12716081) is ethyl 3-piperidin-1-yl-3-sulfanylidenepropanoate.
What is the SMILES notation for ethyl 3-piperidin-1-yl-3-sulfanylidenepropanoate?
The canonical SMILES for ethyl 3-piperidin-1-yl-3-sulfanylidenepropanoate is CCOC(=O)CC(=S)N1CCCCC1.
What is the InChIKey of ethyl 3-piperidin-1-yl-3-sulfanylidenepropanoate?
The InChIKey is SKEDIQKXJOIOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-2-13-10(12)8-9(14)11-6-4-3-5-7-11/h2-8H2,1H3.
What are the key properties of ethyl 3-piperidin-1-yl-3-sulfanylidenepropanoate?
ethyl 3-piperidin-1-yl-3-sulfanylidenepropanoate has a molecular weight of 215.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-piperidin-1-yl-3-sulfanylidenepropanoate is sourced from PubChem (CID 12716081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).