2-(1-propyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylethanone

C10H17N5OS — CID 1452244

IUPAC2-(1-propyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESCCCn1nnnc1SCC(=O)N1CCCC1
InChIInChI=1S/C10H17N5OS/c1-2-5-15-10(11-12-13-15)17-8-9(16)14-6-3-4-7-14/h2-8H2,1H3
InChIKeyXCNOJUUUJIGBOW-UHFFFAOYSA-N
MW255.35 g/mol
LogP0.80
Rot. Bonds5

About 2-(1-propyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylethanone

2-(1-propyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylethanone (PubChem CID 1452244) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-(1-propyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(1-propyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylethanone
PubChem CID1452244
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name2-(1-propyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESCCCn1nnnc1SCC(=O)N1CCCC1
InChIInChI=1S/C10H17N5OS/c1-2-5-15-10(11-12-13-15)17-8-9(16)14-6-3-4-7-14/h2-8H2,1H3
InChIKeyXCNOJUUUJIGBOW-UHFFFAOYSA-N
XLogP0.80
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(1-propyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylethanone (CID 1452244) is 2-(1-propyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(1-propyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(1-propyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylethanone is CCCn1nnnc1SCC(=O)N1CCCC1.
What is the InChIKey of 2-(1-propyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The InChIKey is XCNOJUUUJIGBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-2-5-15-10(11-12-13-15)17-8-9(16)14-6-3-4-7-14/h2-8H2,1H3.
What are the key properties of 2-(1-propyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
2-(1-propyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylethanone has a molecular weight of 255.35 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 1452244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).