2-azidoethylsulfonylcyclopentane

C7H13N3O2S — CID 63115404

IUPAC2-azidoethylsulfonylcyclopentane
SMILES[N-]=[N+]=NCCS(=O)(=O)C1CCCC1
InChIInChI=1S/C7H13N3O2S/c8-10-9-5-6-13(11,12)7-3-1-2-4-7/h7H,1-6H2
InChIKeyJPAXZMDSOCYSGP-UHFFFAOYSA-N
MW203.27 g/mol
LogP1.65
Rot. Bonds4

About 2-azidoethylsulfonylcyclopentane

2-azidoethylsulfonylcyclopentane (PubChem CID 63115404) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-azidoethylsulfonylcyclopentane.

Molecular Properties

Compound Name2-azidoethylsulfonylcyclopentane
PubChem CID63115404
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name2-azidoethylsulfonylcyclopentane
SMILES[N-]=[N+]=NCCS(=O)(=O)C1CCCC1
InChIInChI=1S/C7H13N3O2S/c8-10-9-5-6-13(11,12)7-3-1-2-4-7/h7H,1-6H2
InChIKeyJPAXZMDSOCYSGP-UHFFFAOYSA-N
XLogP1.65
TPSA82.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-azidoethylsulfonylcyclopentane?
The IUPAC name of 2-azidoethylsulfonylcyclopentane (CID 63115404) is 2-azidoethylsulfonylcyclopentane.
What is the SMILES notation for 2-azidoethylsulfonylcyclopentane?
The canonical SMILES for 2-azidoethylsulfonylcyclopentane is [N-]=[N+]=NCCS(=O)(=O)C1CCCC1.
What is the InChIKey of 2-azidoethylsulfonylcyclopentane?
The InChIKey is JPAXZMDSOCYSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c8-10-9-5-6-13(11,12)7-3-1-2-4-7/h7H,1-6H2.
What are the key properties of 2-azidoethylsulfonylcyclopentane?
2-azidoethylsulfonylcyclopentane has a molecular weight of 203.27 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azidoethylsulfonylcyclopentane is sourced from PubChem (CID 63115404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).