[diazo(ethylsulfonyl)methyl]sulfonylcyclopentane

C8H14N2O4S2 — CID 151990241

IUPAC[diazo(ethylsulfonyl)methyl]sulfonylcyclopentane
SMILESCCS(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C1CCCC1
InChIInChI=1S/C8H14N2O4S2/c1-2-15(11,12)8(10-9)16(13,14)7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKeyUENAPXOSBUQCKX-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.36
Rot. Bonds2

About [diazo(ethylsulfonyl)methyl]sulfonylcyclopentane

[diazo(ethylsulfonyl)methyl]sulfonylcyclopentane (PubChem CID 151990241) has the molecular formula C8H14N2O4S2 and a molecular weight of 266.34 g/mol. Its IUPAC name is [diazo(ethylsulfonyl)methyl]sulfonylcyclopentane.

Molecular Properties

Compound Name[diazo(ethylsulfonyl)methyl]sulfonylcyclopentane
PubChem CID151990241
Molecular FormulaC8H14N2O4S2
Molecular Weight266.34 g/mol
Exact Mass266.04
IUPAC Name[diazo(ethylsulfonyl)methyl]sulfonylcyclopentane
SMILESCCS(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C1CCCC1
InChIInChI=1S/C8H14N2O4S2/c1-2-15(11,12)8(10-9)16(13,14)7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKeyUENAPXOSBUQCKX-UHFFFAOYSA-N
XLogP0.36
TPSA104.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [diazo(ethylsulfonyl)methyl]sulfonylcyclopentane?
The IUPAC name of [diazo(ethylsulfonyl)methyl]sulfonylcyclopentane (CID 151990241) is [diazo(ethylsulfonyl)methyl]sulfonylcyclopentane.
What is the SMILES notation for [diazo(ethylsulfonyl)methyl]sulfonylcyclopentane?
The canonical SMILES for [diazo(ethylsulfonyl)methyl]sulfonylcyclopentane is CCS(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C1CCCC1.
What is the InChIKey of [diazo(ethylsulfonyl)methyl]sulfonylcyclopentane?
The InChIKey is UENAPXOSBUQCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4S2/c1-2-15(11,12)8(10-9)16(13,14)7-5-3-4-6-7/h7H,2-6H2,1H3.
What are the key properties of [diazo(ethylsulfonyl)methyl]sulfonylcyclopentane?
[diazo(ethylsulfonyl)methyl]sulfonylcyclopentane has a molecular weight of 266.34 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [diazo(ethylsulfonyl)methyl]sulfonylcyclopentane is sourced from PubChem (CID 151990241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).