ethyl 1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylate

C16H25N5O4S — CID 55429800

IUPACethyl 1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CSc2nnnn2CC2CCCO2)C1
InChIInChI=1S/C16H25N5O4S/c1-2-24-15(23)12-5-3-7-20(9-12)14(22)11-26-16-17-18-19-21(16)10-13-6-4-8-25-13/h12-13H,2-11H2,1H3
InChIKeyMSTVUSGXFDTDNB-UHFFFAOYSA-N
MW383.47 g/mol
LogP0.75
Rot. Bonds7

About ethyl 1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylate

ethyl 1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylate (PubChem CID 55429800) has the molecular formula C16H25N5O4S and a molecular weight of 383.47 g/mol. Its IUPAC name is ethyl 1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylate
PubChem CID55429800
Molecular FormulaC16H25N5O4S
Molecular Weight383.47 g/mol
Exact Mass383.16
IUPAC Nameethyl 1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CSc2nnnn2CC2CCCO2)C1
InChIInChI=1S/C16H25N5O4S/c1-2-24-15(23)12-5-3-7-20(9-12)14(22)11-26-16-17-18-19-21(16)10-13-6-4-8-25-13/h12-13H,2-11H2,1H3
InChIKeyMSTVUSGXFDTDNB-UHFFFAOYSA-N
XLogP0.75
TPSA99.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azepan-1-yl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylethanone
CID 127667265
ethyl (3R)-1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]piperidine-3-carboxylate
CID 2359345
1-[2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one
CID 9292064
1-(4-benzylpiperazin-4-ium-1-yl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylethanone
CID 9380044
N-butyl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51240238
ethyl (3S)-1-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]piperidine-3-carboxylate
CID 42516187
ethyl 1-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetyl]piperidine-3-carboxylate
CID 60542658
N-(methylcarbamoyl)-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
CID 9388365
ethyl 1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-3-carboxylate
CID 78785099
ethyl 2-[[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 55442364
2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 51259109
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylethanone
CID 24653172

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylate (CID 55429800) is ethyl 1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CSc2nnnn2CC2CCCO2)C1.
What is the InChIKey of ethyl 1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylate?
The InChIKey is MSTVUSGXFDTDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O4S/c1-2-24-15(23)12-5-3-7-20(9-12)14(22)11-26-16-17-18-19-21(16)10-13-6-4-8-25-13/h12-13H,2-11H2,1H3.
What are the key properties of ethyl 1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylate?
ethyl 1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylate has a molecular weight of 383.47 g/mol, XLogP of 0.75, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylate is sourced from PubChem (CID 55429800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).