2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-piperidin-1-ylethanone

C11H19N5O2S — CID 650628

IUPAC2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-piperidin-1-ylethanone
SMILESCOCCn1nnnc1SCC(=O)N1CCCCC1
InChIInChI=1S/C11H19N5O2S/c1-18-8-7-16-11(12-13-14-16)19-9-10(17)15-5-3-2-4-6-15/h2-9H2,1H3
InChIKeyQTMPDSSJPQEBQO-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.42
Rot. Bonds6

About 2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-piperidin-1-ylethanone

2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-piperidin-1-ylethanone (PubChem CID 650628) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-piperidin-1-ylethanone
PubChem CID650628
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-piperidin-1-ylethanone
SMILESCOCCn1nnnc1SCC(=O)N1CCCCC1
InChIInChI=1S/C11H19N5O2S/c1-18-8-7-16-11(12-13-14-16)19-9-10(17)15-5-3-2-4-6-15/h2-9H2,1H3
InChIKeyQTMPDSSJPQEBQO-UHFFFAOYSA-N
XLogP0.42
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-piperidin-1-ylethanone 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

2-(1-Cyclopentyltetrazol-5-yl)sulfanyl-1-piperidin-1-ylethanone
CID 1383741
2-(1-Cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
CID 3228976
2-(1-Methyltetrazol-5-yl)sulfanyl-1-piperidin-1-ylethanone
CID 864616
2-(1-Methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
CID 1081014
1-Morpholin-4-yl-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 656170
2-(1-Cyclohexyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
CID 802635
1-Piperidin-1-yl-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 1452245
1-(2,6-Dimethyl-piperidin-1-yl)-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 3212929
1-(2,6-Dimethylmorpholin-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-one
CID 4883454
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-1-piperidin-1-yl-ethanone
CID 1452225
2-(1-Butyl-1H-tetrazol-5-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 3212942
2-[1-(3-Methoxy-propyl)-1H-tetrazol-5-ylsulfanyl]-1-pyrrolidin-1-yl-ethanone
CID 3212980

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-piperidin-1-ylethanone (CID 650628) is 2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-piperidin-1-ylethanone is COCCn1nnnc1SCC(=O)N1CCCCC1.
What is the InChIKey of 2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-piperidin-1-ylethanone?
The InChIKey is QTMPDSSJPQEBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-18-8-7-16-11(12-13-14-16)19-9-10(17)15-5-3-2-4-6-15/h2-9H2,1H3.
What are the key properties of 2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-piperidin-1-ylethanone?
2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-piperidin-1-ylethanone has a molecular weight of 285.37 g/mol, XLogP of 0.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 650628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).