diazoniosulfonylcyclohexane;1-methylsulfonyldecane

C17H35N2O4S2+ — CID 161477553

IUPACdiazoniosulfonylcyclohexane;1-methylsulfonyldecane
SMILESCCCCCCCCCCS(C)(=O)=O.N#[N+]S(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H24O2S.C6H11N2O2S/c1-3-4-5-6-7-8-9-10-11-14(2,12)13;7-8-11(9,10)6-4-2-1-3-5-6/h3-11H2,1-2H3;6H,1-5H2/q;+1
InChIKeyWDXKTLQZFLOWLQ-UHFFFAOYSA-N
MW395.61 g/mol
LogP4.67
Rot. Bonds10

About diazoniosulfonylcyclohexane;1-methylsulfonyldecane

diazoniosulfonylcyclohexane;1-methylsulfonyldecane (PubChem CID 161477553) has the molecular formula C17H35N2O4S2+ and a molecular weight of 395.61 g/mol. Its IUPAC name is diazoniosulfonylcyclohexane;1-methylsulfonyldecane.

Molecular Properties

Compound Namediazoniosulfonylcyclohexane;1-methylsulfonyldecane
PubChem CID161477553
Molecular FormulaC17H35N2O4S2+
Molecular Weight395.61 g/mol
Exact Mass395.20
IUPAC Namediazoniosulfonylcyclohexane;1-methylsulfonyldecane
SMILESCCCCCCCCCCS(C)(=O)=O.N#[N+]S(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H24O2S.C6H11N2O2S/c1-3-4-5-6-7-8-9-10-11-14(2,12)13;7-8-11(9,10)6-4-2-1-3-5-6/h3-11H2,1-2H3;6H,1-5H2/q;+1
InChIKeyWDXKTLQZFLOWLQ-UHFFFAOYSA-N
XLogP4.67
TPSA96.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.61
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

diazoniosulfonylcyclohexane
CID 154139567
heptylsulfonylcyclooctane
CID 134525047
7-methylsulfonylheptylsulfonylcyclohexane
CID 166839040
undecylsulfonylcyclohexane
CID 151596280
1-methylsulfonylnonane
CID 19089493
cyclohexyl-diethyl-methylazanium;octane-1-sulfonic acid
CID 174399978
pentylsulfonylcyclopropane
CID 165043967
1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine
CID 80610576
cyclobutane;octadecane-1-sulfonic acid;phosphane
CID 174587240
7-(3-methylsulfonylpropyl)tridecane
CID 134251360
heptane;methylsulfonylmethane
CID 176706405
cyclopropane;octadecane
CID 174865519

Frequently Asked Questions

What is the IUPAC name of diazoniosulfonylcyclohexane;1-methylsulfonyldecane?
The IUPAC name of diazoniosulfonylcyclohexane;1-methylsulfonyldecane (CID 161477553) is diazoniosulfonylcyclohexane;1-methylsulfonyldecane.
What is the SMILES notation for diazoniosulfonylcyclohexane;1-methylsulfonyldecane?
The canonical SMILES for diazoniosulfonylcyclohexane;1-methylsulfonyldecane is CCCCCCCCCCS(C)(=O)=O.N#[N+]S(=O)(=O)C1CCCCC1.
What is the InChIKey of diazoniosulfonylcyclohexane;1-methylsulfonyldecane?
The InChIKey is WDXKTLQZFLOWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2S.C6H11N2O2S/c1-3-4-5-6-7-8-9-10-11-14(2,12)13;7-8-11(9,10)6-4-2-1-3-5-6/h3-11H2,1-2H3;6H,1-5H2/q;+1.
What are the key properties of diazoniosulfonylcyclohexane;1-methylsulfonyldecane?
diazoniosulfonylcyclohexane;1-methylsulfonyldecane has a molecular weight of 395.61 g/mol, XLogP of 4.67, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diazoniosulfonylcyclohexane;1-methylsulfonyldecane is sourced from PubChem (CID 161477553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).