1-piperidin-1-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone

C11H19N5OS — CID 1452245

IUPAC1-piperidin-1-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone
SMILESCCCn1nnnc1SCC(=O)N1CCCCC1
InChIInChI=1S/C11H19N5OS/c1-2-6-16-11(12-13-14-16)18-9-10(17)15-7-4-3-5-8-15/h2-9H2,1H3
InChIKeySJAGVOVLGVSLFH-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.19
Rot. Bonds5

About 1-piperidin-1-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone

1-piperidin-1-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone (PubChem CID 1452245) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone
PubChem CID1452245
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name1-piperidin-1-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone
SMILESCCCn1nnnc1SCC(=O)N1CCCCC1
InChIInChI=1S/C11H19N5OS/c1-2-6-16-11(12-13-14-16)18-9-10(17)15-7-4-3-5-8-15/h2-9H2,1H3
InChIKeySJAGVOVLGVSLFH-UHFFFAOYSA-N
XLogP1.19
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone?
The IUPAC name of 1-piperidin-1-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone (CID 1452245) is 1-piperidin-1-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone is CCCn1nnnc1SCC(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone?
The InChIKey is SJAGVOVLGVSLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-2-6-16-11(12-13-14-16)18-9-10(17)15-7-4-3-5-8-15/h2-9H2,1H3.
What are the key properties of 1-piperidin-1-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone?
1-piperidin-1-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone has a molecular weight of 269.37 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(1-propyltetrazol-5-yl)sulfanylethanone is sourced from PubChem (CID 1452245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).