1-azido-3-(2-methoxyethylsulfonyl)propane

C6H13N3O3S — CID 61396911

IUPAC1-azido-3-(2-methoxyethylsulfonyl)propane
SMILESCOCCS(=O)(=O)CCCN=[N+]=[N-]
InChIInChI=1S/C6H13N3O3S/c1-12-4-6-13(10,11)5-2-3-8-9-7/h2-6H2,1H3
InChIKeyVQNVXZHSRSDPGW-UHFFFAOYSA-N
MW207.25 g/mol
LogP0.75
Rot. Bonds7

About 1-azido-3-(2-methoxyethylsulfonyl)propane

1-azido-3-(2-methoxyethylsulfonyl)propane (PubChem CID 61396911) has the molecular formula C6H13N3O3S and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-azido-3-(2-methoxyethylsulfonyl)propane.

Molecular Properties

Compound Name1-azido-3-(2-methoxyethylsulfonyl)propane
PubChem CID61396911
Molecular FormulaC6H13N3O3S
Molecular Weight207.25 g/mol
Exact Mass207.07
IUPAC Name1-azido-3-(2-methoxyethylsulfonyl)propane
SMILESCOCCS(=O)(=O)CCCN=[N+]=[N-]
InChIInChI=1S/C6H13N3O3S/c1-12-4-6-13(10,11)5-2-3-8-9-7/h2-6H2,1H3
InChIKeyVQNVXZHSRSDPGW-UHFFFAOYSA-N
XLogP0.75
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-methoxyethylsulfonyl)propane?
The IUPAC name of 1-azido-3-(2-methoxyethylsulfonyl)propane (CID 61396911) is 1-azido-3-(2-methoxyethylsulfonyl)propane.
What is the SMILES notation for 1-azido-3-(2-methoxyethylsulfonyl)propane?
The canonical SMILES for 1-azido-3-(2-methoxyethylsulfonyl)propane is COCCS(=O)(=O)CCCN=[N+]=[N-].
What is the InChIKey of 1-azido-3-(2-methoxyethylsulfonyl)propane?
The InChIKey is VQNVXZHSRSDPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O3S/c1-12-4-6-13(10,11)5-2-3-8-9-7/h2-6H2,1H3.
What are the key properties of 1-azido-3-(2-methoxyethylsulfonyl)propane?
1-azido-3-(2-methoxyethylsulfonyl)propane has a molecular weight of 207.25 g/mol, XLogP of 0.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-3-(2-methoxyethylsulfonyl)propane is sourced from PubChem (CID 61396911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).