3-(2-azidoethylsulfonyl)-2-methyloxolane

C7H13N3O3S — CID 107754203

IUPAC3-(2-azidoethylsulfonyl)-2-methyloxolane
SMILESCC1OCCC1S(=O)(=O)CCN=[N+]=[N-]
InChIInChI=1S/C7H13N3O3S/c1-6-7(2-4-13-6)14(11,12)5-3-9-10-8/h6-7H,2-5H2,1H3
InChIKeyOUMFZCCOTPJEIG-UHFFFAOYSA-N
MW219.27 g/mol
LogP0.89
Rot. Bonds4

About 3-(2-azidoethylsulfonyl)-2-methyloxolane

3-(2-azidoethylsulfonyl)-2-methyloxolane (PubChem CID 107754203) has the molecular formula C7H13N3O3S and a molecular weight of 219.27 g/mol. Its IUPAC name is 3-(2-azidoethylsulfonyl)-2-methyloxolane.

Molecular Properties

Compound Name3-(2-azidoethylsulfonyl)-2-methyloxolane
PubChem CID107754203
Molecular FormulaC7H13N3O3S
Molecular Weight219.27 g/mol
Exact Mass219.07
IUPAC Name3-(2-azidoethylsulfonyl)-2-methyloxolane
SMILESCC1OCCC1S(=O)(=O)CCN=[N+]=[N-]
InChIInChI=1S/C7H13N3O3S/c1-6-7(2-4-13-6)14(11,12)5-3-9-10-8/h6-7H,2-5H2,1H3
InChIKeyOUMFZCCOTPJEIG-UHFFFAOYSA-N
XLogP0.89
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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 3-(2-azidoethylsulfonyl)-2-methyloxolane?
The IUPAC name of 3-(2-azidoethylsulfonyl)-2-methyloxolane (CID 107754203) is 3-(2-azidoethylsulfonyl)-2-methyloxolane.
What is the SMILES notation for 3-(2-azidoethylsulfonyl)-2-methyloxolane?
The canonical SMILES for 3-(2-azidoethylsulfonyl)-2-methyloxolane is CC1OCCC1S(=O)(=O)CCN=[N+]=[N-].
What is the InChIKey of 3-(2-azidoethylsulfonyl)-2-methyloxolane?
The InChIKey is OUMFZCCOTPJEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3S/c1-6-7(2-4-13-6)14(11,12)5-3-9-10-8/h6-7H,2-5H2,1H3.
What are the key properties of 3-(2-azidoethylsulfonyl)-2-methyloxolane?
3-(2-azidoethylsulfonyl)-2-methyloxolane has a molecular weight of 219.27 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azidoethylsulfonyl)-2-methyloxolane is sourced from PubChem (CID 107754203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).