2-(2-azidoethylsulfanyl)-2-methylpropane

C6H13N3S — CID 61397099

IUPAC2-(2-azidoethylsulfanyl)-2-methylpropane
SMILESCC(C)(C)SCCN=[N+]=[N-]
InChIInChI=1S/C6H13N3S/c1-6(2,3)10-5-4-8-9-7/h4-5H2,1-3H3
InChIKeyNKBCGQICAUJKGQ-UHFFFAOYSA-N
MW159.26 g/mol
LogP2.83
Rot. Bonds3

About 2-(2-azidoethylsulfanyl)-2-methylpropane

2-(2-azidoethylsulfanyl)-2-methylpropane (PubChem CID 61397099) has the molecular formula C6H13N3S and a molecular weight of 159.26 g/mol. Its IUPAC name is 2-(2-azidoethylsulfanyl)-2-methylpropane.

Molecular Properties

Compound Name2-(2-azidoethylsulfanyl)-2-methylpropane
PubChem CID61397099
Molecular FormulaC6H13N3S
Molecular Weight159.26 g/mol
Exact Mass159.08
IUPAC Name2-(2-azidoethylsulfanyl)-2-methylpropane
SMILESCC(C)(C)SCCN=[N+]=[N-]
InChIInChI=1S/C6H13N3S/c1-6(2,3)10-5-4-8-9-7/h4-5H2,1-3H3
InChIKeyNKBCGQICAUJKGQ-UHFFFAOYSA-N
XLogP2.83
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.26
LogP ≤ 52.83
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'}

Analyze 2-(2-azidoethylsulfanyl)-2-methylpropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethylsulfanyl)-2-methylpropane?
The IUPAC name of 2-(2-azidoethylsulfanyl)-2-methylpropane (CID 61397099) is 2-(2-azidoethylsulfanyl)-2-methylpropane.
What is the SMILES notation for 2-(2-azidoethylsulfanyl)-2-methylpropane?
The canonical SMILES for 2-(2-azidoethylsulfanyl)-2-methylpropane is CC(C)(C)SCCN=[N+]=[N-].
What is the InChIKey of 2-(2-azidoethylsulfanyl)-2-methylpropane?
The InChIKey is NKBCGQICAUJKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3S/c1-6(2,3)10-5-4-8-9-7/h4-5H2,1-3H3.
What are the key properties of 2-(2-azidoethylsulfanyl)-2-methylpropane?
2-(2-azidoethylsulfanyl)-2-methylpropane has a molecular weight of 159.26 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethylsulfanyl)-2-methylpropane is sourced from PubChem (CID 61397099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).