1-cyclopentyl-5-(oxiran-2-ylmethylsulfanyl)tetrazole

C9H14N4OS — CID 43187884

IUPAC1-cyclopentyl-5-(oxiran-2-ylmethylsulfanyl)tetrazole
SMILESC1CCC(n2nnnc2SCC2CO2)C1
InChIInChI=1S/C9H14N4OS/c1-2-4-7(3-1)13-9(10-11-12-13)15-6-8-5-14-8/h7-8H,1-6H2
InChIKeyPRSWCORWLQRSDN-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.28
Rot. Bonds4

About 1-cyclopentyl-5-(oxiran-2-ylmethylsulfanyl)tetrazole

1-cyclopentyl-5-(oxiran-2-ylmethylsulfanyl)tetrazole (PubChem CID 43187884) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-cyclopentyl-5-(oxiran-2-ylmethylsulfanyl)tetrazole.

Molecular Properties

Compound Name1-cyclopentyl-5-(oxiran-2-ylmethylsulfanyl)tetrazole
PubChem CID43187884
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name1-cyclopentyl-5-(oxiran-2-ylmethylsulfanyl)tetrazole
SMILESC1CCC(n2nnnc2SCC2CO2)C1
InChIInChI=1S/C9H14N4OS/c1-2-4-7(3-1)13-9(10-11-12-13)15-6-8-5-14-8/h7-8H,1-6H2
InChIKeyPRSWCORWLQRSDN-UHFFFAOYSA-N
XLogP1.28
TPSA56.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-(oxiran-2-ylmethylsulfanyl)tetrazole?
The IUPAC name of 1-cyclopentyl-5-(oxiran-2-ylmethylsulfanyl)tetrazole (CID 43187884) is 1-cyclopentyl-5-(oxiran-2-ylmethylsulfanyl)tetrazole.
What is the SMILES notation for 1-cyclopentyl-5-(oxiran-2-ylmethylsulfanyl)tetrazole?
The canonical SMILES for 1-cyclopentyl-5-(oxiran-2-ylmethylsulfanyl)tetrazole is C1CCC(n2nnnc2SCC2CO2)C1.
What is the InChIKey of 1-cyclopentyl-5-(oxiran-2-ylmethylsulfanyl)tetrazole?
The InChIKey is PRSWCORWLQRSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-2-4-7(3-1)13-9(10-11-12-13)15-6-8-5-14-8/h7-8H,1-6H2.
What are the key properties of 1-cyclopentyl-5-(oxiran-2-ylmethylsulfanyl)tetrazole?
1-cyclopentyl-5-(oxiran-2-ylmethylsulfanyl)tetrazole has a molecular weight of 226.30 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-(oxiran-2-ylmethylsulfanyl)tetrazole is sourced from PubChem (CID 43187884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).