2-(3-azidopropylsulfonylmethyl)oxolane

C8H15N3O3S — CID 106495362

IUPAC2-(3-azidopropylsulfonylmethyl)oxolane
SMILES[N-]=[N+]=NCCCS(=O)(=O)CC1CCCO1
InChIInChI=1S/C8H15N3O3S/c9-11-10-4-2-6-15(12,13)7-8-3-1-5-14-8/h8H,1-7H2
InChIKeyBDQRNQSRVPERQG-UHFFFAOYSA-N
MW233.29 g/mol
LogP1.28
Rot. Bonds6

About 2-(3-azidopropylsulfonylmethyl)oxolane

2-(3-azidopropylsulfonylmethyl)oxolane (PubChem CID 106495362) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(3-azidopropylsulfonylmethyl)oxolane.

Molecular Properties

Compound Name2-(3-azidopropylsulfonylmethyl)oxolane
PubChem CID106495362
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name2-(3-azidopropylsulfonylmethyl)oxolane
SMILES[N-]=[N+]=NCCCS(=O)(=O)CC1CCCO1
InChIInChI=1S/C8H15N3O3S/c9-11-10-4-2-6-15(12,13)7-8-3-1-5-14-8/h8H,1-7H2
InChIKeyBDQRNQSRVPERQG-UHFFFAOYSA-N
XLogP1.28
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 51.28
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 2-(3-azidopropylsulfonylmethyl)oxolane?
The IUPAC name of 2-(3-azidopropylsulfonylmethyl)oxolane (CID 106495362) is 2-(3-azidopropylsulfonylmethyl)oxolane.
What is the SMILES notation for 2-(3-azidopropylsulfonylmethyl)oxolane?
The canonical SMILES for 2-(3-azidopropylsulfonylmethyl)oxolane is [N-]=[N+]=NCCCS(=O)(=O)CC1CCCO1.
What is the InChIKey of 2-(3-azidopropylsulfonylmethyl)oxolane?
The InChIKey is BDQRNQSRVPERQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c9-11-10-4-2-6-15(12,13)7-8-3-1-5-14-8/h8H,1-7H2.
What are the key properties of 2-(3-azidopropylsulfonylmethyl)oxolane?
2-(3-azidopropylsulfonylmethyl)oxolane has a molecular weight of 233.29 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropylsulfonylmethyl)oxolane is sourced from PubChem (CID 106495362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).