1-(2,6-dimethylpiperidin-1-yl)-2-(1-propyltetrazol-5-yl)sulfanylethanone

C13H23N5OS — CID 3212929

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-(1-propyltetrazol-5-yl)sulfanylethanone
SMILESCCCn1nnnc1SCC(=O)N1C(C)CCCC1C
InChIInChI=1S/C13H23N5OS/c1-4-8-17-13(14-15-16-17)20-9-12(19)18-10(2)6-5-7-11(18)3/h10-11H,4-9H2,1-3H3
InChIKeyFKHCFZUAVXYOJV-UHFFFAOYSA-N
MW297.43 g/mol
LogP1.96
Rot. Bonds5

About 1-(2,6-dimethylpiperidin-1-yl)-2-(1-propyltetrazol-5-yl)sulfanylethanone

1-(2,6-dimethylpiperidin-1-yl)-2-(1-propyltetrazol-5-yl)sulfanylethanone (PubChem CID 3212929) has the molecular formula C13H23N5OS and a molecular weight of 297.43 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-(1-propyltetrazol-5-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-(1-propyltetrazol-5-yl)sulfanylethanone
PubChem CID3212929
Molecular FormulaC13H23N5OS
Molecular Weight297.43 g/mol
Exact Mass297.16
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-(1-propyltetrazol-5-yl)sulfanylethanone
SMILESCCCn1nnnc1SCC(=O)N1C(C)CCCC1C
InChIInChI=1S/C13H23N5OS/c1-4-8-17-13(14-15-16-17)20-9-12(19)18-10(2)6-5-7-11(18)3/h10-11H,4-9H2,1-3H3
InChIKeyFKHCFZUAVXYOJV-UHFFFAOYSA-N
XLogP1.96
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2,6-dimethylpiperidin-1-yl)-2-(1-propyltetrazol-5-yl)sulfanylethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-(1-propyltetrazol-5-yl)sulfanylethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-(1-propyltetrazol-5-yl)sulfanylethanone (CID 3212929) is 1-(2,6-dimethylpiperidin-1-yl)-2-(1-propyltetrazol-5-yl)sulfanylethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-(1-propyltetrazol-5-yl)sulfanylethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-(1-propyltetrazol-5-yl)sulfanylethanone is CCCn1nnnc1SCC(=O)N1C(C)CCCC1C.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-(1-propyltetrazol-5-yl)sulfanylethanone?
The InChIKey is FKHCFZUAVXYOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS/c1-4-8-17-13(14-15-16-17)20-9-12(19)18-10(2)6-5-7-11(18)3/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-(1-propyltetrazol-5-yl)sulfanylethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-(1-propyltetrazol-5-yl)sulfanylethanone has a molecular weight of 297.43 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-(1-propyltetrazol-5-yl)sulfanylethanone is sourced from PubChem (CID 3212929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).