5-(5-chloropentylsulfanyl)-1-cyclopentyltetrazole

C11H19ClN4S — CID 43445911

IUPAC5-(5-chloropentylsulfanyl)-1-cyclopentyltetrazole
SMILESClCCCCCSc1nnnn1C1CCCC1
InChIInChI=1S/C11H19ClN4S/c12-8-4-1-5-9-17-11-13-14-15-16(11)10-6-2-3-7-10/h10H,1-9H2
InChIKeySWUWPXGNZVDHBK-UHFFFAOYSA-N
MW274.82 g/mol
LogP3.29
Rot. Bonds7

About 5-(5-chloropentylsulfanyl)-1-cyclopentyltetrazole

5-(5-chloropentylsulfanyl)-1-cyclopentyltetrazole (PubChem CID 43445911) has the molecular formula C11H19ClN4S and a molecular weight of 274.82 g/mol. Its IUPAC name is 5-(5-chloropentylsulfanyl)-1-cyclopentyltetrazole.

Molecular Properties

Compound Name5-(5-chloropentylsulfanyl)-1-cyclopentyltetrazole
PubChem CID43445911
Molecular FormulaC11H19ClN4S
Molecular Weight274.82 g/mol
Exact Mass274.10
IUPAC Name5-(5-chloropentylsulfanyl)-1-cyclopentyltetrazole
SMILESClCCCCCSc1nnnn1C1CCCC1
InChIInChI=1S/C11H19ClN4S/c12-8-4-1-5-9-17-11-13-14-15-16(11)10-6-2-3-7-10/h10H,1-9H2
InChIKeySWUWPXGNZVDHBK-UHFFFAOYSA-N
XLogP3.29
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloropentylsulfanyl)-1-cyclopentyltetrazole?
The IUPAC name of 5-(5-chloropentylsulfanyl)-1-cyclopentyltetrazole (CID 43445911) is 5-(5-chloropentylsulfanyl)-1-cyclopentyltetrazole.
What is the SMILES notation for 5-(5-chloropentylsulfanyl)-1-cyclopentyltetrazole?
The canonical SMILES for 5-(5-chloropentylsulfanyl)-1-cyclopentyltetrazole is ClCCCCCSc1nnnn1C1CCCC1.
What is the InChIKey of 5-(5-chloropentylsulfanyl)-1-cyclopentyltetrazole?
The InChIKey is SWUWPXGNZVDHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4S/c12-8-4-1-5-9-17-11-13-14-15-16(11)10-6-2-3-7-10/h10H,1-9H2.
What are the key properties of 5-(5-chloropentylsulfanyl)-1-cyclopentyltetrazole?
5-(5-chloropentylsulfanyl)-1-cyclopentyltetrazole has a molecular weight of 274.82 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloropentylsulfanyl)-1-cyclopentyltetrazole is sourced from PubChem (CID 43445911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).