1-(3-azidopropylsulfanyl)-2-methylpropane

C7H15N3S — CID 61397120

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

About 1-(3-azidopropylsulfanyl)-2-methylpropane

1-(3-azidopropylsulfanyl)-2-methylpropane (PubChem CID 61397120) has the molecular formula C7H15N3S and a molecular weight of 173.28 g/mol. Its IUPAC name is 1-(3-azidopropylsulfanyl)-2-methylpropane.

Molecular Properties

Compound Name1-(3-azidopropylsulfanyl)-2-methylpropane
PubChem CID61397120
Molecular FormulaC7H15N3S
Molecular Weight173.28 g/mol
Exact Mass173.10
IUPAC Name1-(3-azidopropylsulfanyl)-2-methylpropane
SMILESCC(C)CSCCCN=[N+]=[N-]
InChIInChI=1S/C7H15N3S/c1-7(2)6-11-5-3-4-9-10-8/h7H,3-6H2,1-2H3
InChIKeyJCASRBPJNPLSCL-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-(3-azidopropylsulfanyl)-2-methylpropane?
The IUPAC name of 1-(3-azidopropylsulfanyl)-2-methylpropane (CID 61397120) is 1-(3-azidopropylsulfanyl)-2-methylpropane.
What is the SMILES notation for 1-(3-azidopropylsulfanyl)-2-methylpropane?
The canonical SMILES for 1-(3-azidopropylsulfanyl)-2-methylpropane is CC(C)CSCCCN=[N+]=[N-].
What is the InChIKey of 1-(3-azidopropylsulfanyl)-2-methylpropane?
The InChIKey is JCASRBPJNPLSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3S/c1-7(2)6-11-5-3-4-9-10-8/h7H,3-6H2,1-2H3.
What are the key properties of 1-(3-azidopropylsulfanyl)-2-methylpropane?
1-(3-azidopropylsulfanyl)-2-methylpropane 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-(3-azidopropylsulfanyl)-2-methylpropane is sourced from PubChem (CID 61397120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).