1-(2-azidoethylsulfanyl)-2-methylbutane

C7H15N3S — CID 107754200

IUPAC1-(2-azidoethylsulfanyl)-2-methylbutane
SMILESCCC(C)CSCCN=[N+]=[N-]
InChIInChI=1S/C7H15N3S/c1-3-7(2)6-11-5-4-9-10-8/h7H,3-6H2,1-2H3
InChIKeyUKBFESHNQLAPTB-UHFFFAOYSA-N
MW173.28 g/mol
LogP3.08
Rot. Bonds6

About 1-(2-azidoethylsulfanyl)-2-methylbutane

1-(2-azidoethylsulfanyl)-2-methylbutane (PubChem CID 107754200) has the molecular formula C7H15N3S and a molecular weight of 173.28 g/mol. Its IUPAC name is 1-(2-azidoethylsulfanyl)-2-methylbutane.

Molecular Properties

Compound Name1-(2-azidoethylsulfanyl)-2-methylbutane
PubChem CID107754200
Molecular FormulaC7H15N3S
Molecular Weight173.28 g/mol
Exact Mass173.10
IUPAC Name1-(2-azidoethylsulfanyl)-2-methylbutane
SMILESCCC(C)CSCCN=[N+]=[N-]
InChIInChI=1S/C7H15N3S/c1-3-7(2)6-11-5-4-9-10-8/h7H,3-6H2,1-2H3
InChIKeyUKBFESHNQLAPTB-UHFFFAOYSA-N
XLogP3.08
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 53.08
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-(2-azidoethylsulfanyl)-2-methylbutane?
The IUPAC name of 1-(2-azidoethylsulfanyl)-2-methylbutane (CID 107754200) is 1-(2-azidoethylsulfanyl)-2-methylbutane.
What is the SMILES notation for 1-(2-azidoethylsulfanyl)-2-methylbutane?
The canonical SMILES for 1-(2-azidoethylsulfanyl)-2-methylbutane is CCC(C)CSCCN=[N+]=[N-].
What is the InChIKey of 1-(2-azidoethylsulfanyl)-2-methylbutane?
The InChIKey is UKBFESHNQLAPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3S/c1-3-7(2)6-11-5-4-9-10-8/h7H,3-6H2,1-2H3.
What are the key properties of 1-(2-azidoethylsulfanyl)-2-methylbutane?
1-(2-azidoethylsulfanyl)-2-methylbutane has a molecular weight of 173.28 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethylsulfanyl)-2-methylbutane is sourced from PubChem (CID 107754200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).