[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane

C13H22N2O4S2 — CID 11056751

IUPAC[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane
SMILES[N-]=[N+]=C(S(=O)(=O)C1CCCCC1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C13H22N2O4S2/c14-15-13(20(16,17)11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyGLGXSTXZLFQYKJ-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.07
Rot. Bonds2

About [cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane

[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane (PubChem CID 11056751) has the molecular formula C13H22N2O4S2 and a molecular weight of 334.46 g/mol. Its IUPAC name is [cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane.

Molecular Properties

Compound Name[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane
PubChem CID11056751
Molecular FormulaC13H22N2O4S2
Molecular Weight334.46 g/mol
Exact Mass334.10
IUPAC Name[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane
SMILES[N-]=[N+]=C(S(=O)(=O)C1CCCCC1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C13H22N2O4S2/c14-15-13(20(16,17)11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyGLGXSTXZLFQYKJ-UHFFFAOYSA-N
XLogP2.07
TPSA104.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.07
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 [cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane?
The IUPAC name of [cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane (CID 11056751) is [cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane.
What is the SMILES notation for [cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane?
The canonical SMILES for [cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane is [N-]=[N+]=C(S(=O)(=O)C1CCCCC1)S(=O)(=O)C1CCCCC1.
What is the InChIKey of [cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane?
The InChIKey is GLGXSTXZLFQYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S2/c14-15-13(20(16,17)11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12/h11-12H,1-10H2.
What are the key properties of [cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane?
[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane has a molecular weight of 334.46 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane is sourced from PubChem (CID 11056751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).