1-[azidosulfonyl(pentyl)amino]pentane

C10H22N4O2S — CID 154104283

IUPAC1-[azidosulfonyl(pentyl)amino]pentane
SMILESCCCCCN(CCCCC)S(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C10H22N4O2S/c1-3-5-7-9-14(10-8-6-4-2)17(15,16)13-12-11/h3-10H2,1-2H3
InChIKeyBIJVKWRMLWADNL-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.22
Rot. Bonds10

About 1-[azidosulfonyl(pentyl)amino]pentane

1-[azidosulfonyl(pentyl)amino]pentane (PubChem CID 154104283) has the molecular formula C10H22N4O2S and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-[azidosulfonyl(pentyl)amino]pentane.

Molecular Properties

Compound Name1-[azidosulfonyl(pentyl)amino]pentane
PubChem CID154104283
Molecular FormulaC10H22N4O2S
Molecular Weight262.38 g/mol
Exact Mass262.15
IUPAC Name1-[azidosulfonyl(pentyl)amino]pentane
SMILESCCCCCN(CCCCC)S(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C10H22N4O2S/c1-3-5-7-9-14(10-8-6-4-2)17(15,16)13-12-11/h3-10H2,1-2H3
InChIKeyBIJVKWRMLWADNL-UHFFFAOYSA-N
XLogP3.22
TPSA86.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.22
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-[azidosulfonyl(pentyl)amino]pentane?
The IUPAC name of 1-[azidosulfonyl(pentyl)amino]pentane (CID 154104283) is 1-[azidosulfonyl(pentyl)amino]pentane.
What is the SMILES notation for 1-[azidosulfonyl(pentyl)amino]pentane?
The canonical SMILES for 1-[azidosulfonyl(pentyl)amino]pentane is CCCCCN(CCCCC)S(=O)(=O)N=[N+]=[N-].
What is the InChIKey of 1-[azidosulfonyl(pentyl)amino]pentane?
The InChIKey is BIJVKWRMLWADNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2S/c1-3-5-7-9-14(10-8-6-4-2)17(15,16)13-12-11/h3-10H2,1-2H3.
What are the key properties of 1-[azidosulfonyl(pentyl)amino]pentane?
1-[azidosulfonyl(pentyl)amino]pentane has a molecular weight of 262.38 g/mol, XLogP of 3.22, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[azidosulfonyl(pentyl)amino]pentane is sourced from PubChem (CID 154104283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).