2-(3-azidopropylsulfanyl)-2-methylpropane

C7H15N3S — CID 61397100

IUPAC2-(3-azidopropylsulfanyl)-2-methylpropane
SMILESCC(C)(C)SCCCN=[N+]=[N-]
InChIInChI=1S/C7H15N3S/c1-7(2,3)11-6-4-5-9-10-8/h4-6H2,1-3H3
InChIKeyMSSJKIZMWOOMFY-UHFFFAOYSA-N
MW173.28 g/mol
LogP3.22
Rot. Bonds4

About 2-(3-azidopropylsulfanyl)-2-methylpropane

2-(3-azidopropylsulfanyl)-2-methylpropane (PubChem CID 61397100) has the molecular formula C7H15N3S and a molecular weight of 173.28 g/mol. Its IUPAC name is 2-(3-azidopropylsulfanyl)-2-methylpropane.

Molecular Properties

Compound Name2-(3-azidopropylsulfanyl)-2-methylpropane
PubChem CID61397100
Molecular FormulaC7H15N3S
Molecular Weight173.28 g/mol
Exact Mass173.10
IUPAC Name2-(3-azidopropylsulfanyl)-2-methylpropane
SMILESCC(C)(C)SCCCN=[N+]=[N-]
InChIInChI=1S/C7H15N3S/c1-7(2,3)11-6-4-5-9-10-8/h4-6H2,1-3H3
InChIKeyMSSJKIZMWOOMFY-UHFFFAOYSA-N
XLogP3.22
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
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 2-(3-azidopropylsulfanyl)-2-methylpropane?
The IUPAC name of 2-(3-azidopropylsulfanyl)-2-methylpropane (CID 61397100) is 2-(3-azidopropylsulfanyl)-2-methylpropane.
What is the SMILES notation for 2-(3-azidopropylsulfanyl)-2-methylpropane?
The canonical SMILES for 2-(3-azidopropylsulfanyl)-2-methylpropane is CC(C)(C)SCCCN=[N+]=[N-].
What is the InChIKey of 2-(3-azidopropylsulfanyl)-2-methylpropane?
The InChIKey is MSSJKIZMWOOMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3S/c1-7(2,3)11-6-4-5-9-10-8/h4-6H2,1-3H3.
What are the key properties of 2-(3-azidopropylsulfanyl)-2-methylpropane?
2-(3-azidopropylsulfanyl)-2-methylpropane has a molecular weight of 173.28 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropylsulfanyl)-2-methylpropane is sourced from PubChem (CID 61397100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).