1-azido-3-propylsulfinylpropane

C6H13N3OS — CID 61396915

IUPAC1-azido-3-propylsulfinylpropane
SMILESCCCS(=O)CCCN=[N+]=[N-]
InChIInChI=1S/C6H13N3OS/c1-2-5-11(10)6-3-4-8-9-7/h2-6H2,1H3
InChIKeyRXAQFWGUGUJZRW-UHFFFAOYSA-N
MW175.26 g/mol
LogP1.85
Rot. Bonds6

About 1-azido-3-propylsulfinylpropane

1-azido-3-propylsulfinylpropane (PubChem CID 61396915) has the molecular formula C6H13N3OS and a molecular weight of 175.26 g/mol. Its IUPAC name is 1-azido-3-propylsulfinylpropane.

Molecular Properties

Compound Name1-azido-3-propylsulfinylpropane
PubChem CID61396915
Molecular FormulaC6H13N3OS
Molecular Weight175.26 g/mol
Exact Mass175.08
IUPAC Name1-azido-3-propylsulfinylpropane
SMILESCCCS(=O)CCCN=[N+]=[N-]
InChIInChI=1S/C6H13N3OS/c1-2-5-11(10)6-3-4-8-9-7/h2-6H2,1H3
InChIKeyRXAQFWGUGUJZRW-UHFFFAOYSA-N
XLogP1.85
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 51.85
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-azido-3-propylsulfinylpropane?
The IUPAC name of 1-azido-3-propylsulfinylpropane (CID 61396915) is 1-azido-3-propylsulfinylpropane.
What is the SMILES notation for 1-azido-3-propylsulfinylpropane?
The canonical SMILES for 1-azido-3-propylsulfinylpropane is CCCS(=O)CCCN=[N+]=[N-].
What is the InChIKey of 1-azido-3-propylsulfinylpropane?
The InChIKey is RXAQFWGUGUJZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3OS/c1-2-5-11(10)6-3-4-8-9-7/h2-6H2,1H3.
What are the key properties of 1-azido-3-propylsulfinylpropane?
1-azido-3-propylsulfinylpropane has a molecular weight of 175.26 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-3-propylsulfinylpropane is sourced from PubChem (CID 61396915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).