1-(3-azidopropylsulfanyl)pentane

C8H17N3S — CID 107754195

IUPAC1-(3-azidopropylsulfanyl)pentane
SMILESCCCCCSCCCN=[N+]=[N-]
InChIInChI=1S/C8H17N3S/c1-2-3-4-7-12-8-5-6-10-11-9/h2-8H2,1H3
InChIKeyJHYIXVHPBAVTFZ-UHFFFAOYSA-N
MW187.31 g/mol
LogP3.61
Rot. Bonds8

About 1-(3-azidopropylsulfanyl)pentane

1-(3-azidopropylsulfanyl)pentane (PubChem CID 107754195) has the molecular formula C8H17N3S and a molecular weight of 187.31 g/mol. Its IUPAC name is 1-(3-azidopropylsulfanyl)pentane.

Molecular Properties

Compound Name1-(3-azidopropylsulfanyl)pentane
PubChem CID107754195
Molecular FormulaC8H17N3S
Molecular Weight187.31 g/mol
Exact Mass187.11
IUPAC Name1-(3-azidopropylsulfanyl)pentane
SMILESCCCCCSCCCN=[N+]=[N-]
InChIInChI=1S/C8H17N3S/c1-2-3-4-7-12-8-5-6-10-11-9/h2-8H2,1H3
InChIKeyJHYIXVHPBAVTFZ-UHFFFAOYSA-N
XLogP3.61
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-azidopropylsulfanyl)pentane?
The IUPAC name of 1-(3-azidopropylsulfanyl)pentane (CID 107754195) is 1-(3-azidopropylsulfanyl)pentane.
What is the SMILES notation for 1-(3-azidopropylsulfanyl)pentane?
The canonical SMILES for 1-(3-azidopropylsulfanyl)pentane is CCCCCSCCCN=[N+]=[N-].
What is the InChIKey of 1-(3-azidopropylsulfanyl)pentane?
The InChIKey is JHYIXVHPBAVTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3S/c1-2-3-4-7-12-8-5-6-10-11-9/h2-8H2,1H3.
What are the key properties of 1-(3-azidopropylsulfanyl)pentane?
1-(3-azidopropylsulfanyl)pentane has a molecular weight of 187.31 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidopropylsulfanyl)pentane is sourced from PubChem (CID 107754195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).