N,N-dicyclohexyl-1-(trioxidanylsulfanyl)methanesulfonamide

C13H25NO5S2 — CID 59833721

IUPACN,N-dicyclohexyl-1-(trioxidanylsulfanyl)methanesulfonamide
SMILESO=S(=O)(CSOOO)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H25NO5S2/c15-18-19-20-11-21(16,17)14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-13,15H,1-11H2
InChIKeyUMDUEBNZCCHODU-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.31
Rot. Bonds7

About N,N-dicyclohexyl-1-(trioxidanylsulfanyl)methanesulfonamide

N,N-dicyclohexyl-1-(trioxidanylsulfanyl)methanesulfonamide (PubChem CID 59833721) has the molecular formula C13H25NO5S2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N,N-dicyclohexyl-1-(trioxidanylsulfanyl)methanesulfonamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-1-(trioxidanylsulfanyl)methanesulfonamide
PubChem CID59833721
Molecular FormulaC13H25NO5S2
Molecular Weight339.48 g/mol
Exact Mass339.12
IUPAC NameN,N-dicyclohexyl-1-(trioxidanylsulfanyl)methanesulfonamide
SMILESO=S(=O)(CSOOO)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H25NO5S2/c15-18-19-20-11-21(16,17)14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-13,15H,1-11H2
InChIKeyUMDUEBNZCCHODU-UHFFFAOYSA-N
XLogP3.31
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-1-(trioxidanylsulfanyl)methanesulfonamide?
The IUPAC name of N,N-dicyclohexyl-1-(trioxidanylsulfanyl)methanesulfonamide (CID 59833721) is N,N-dicyclohexyl-1-(trioxidanylsulfanyl)methanesulfonamide.
What is the SMILES notation for N,N-dicyclohexyl-1-(trioxidanylsulfanyl)methanesulfonamide?
The canonical SMILES for N,N-dicyclohexyl-1-(trioxidanylsulfanyl)methanesulfonamide is O=S(=O)(CSOOO)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-1-(trioxidanylsulfanyl)methanesulfonamide?
The InChIKey is UMDUEBNZCCHODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5S2/c15-18-19-20-11-21(16,17)14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-13,15H,1-11H2.
What are the key properties of N,N-dicyclohexyl-1-(trioxidanylsulfanyl)methanesulfonamide?
N,N-dicyclohexyl-1-(trioxidanylsulfanyl)methanesulfonamide has a molecular weight of 339.48 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-1-(trioxidanylsulfanyl)methanesulfonamide is sourced from PubChem (CID 59833721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).