methane;4-undecyl-6-oxa-5λ6-thia-1-azabicyclo[5.2.0]nonane 5,5-dioxide

C18H37NO3S — CID 88782826

IUPACmethane;4-undecyl-6-oxa-5λ6-thia-1-azabicyclo[5.2.0]nonane 5,5-dioxide
SMILESC.CCCCCCCCCCCC1CCN2CCC2OS1(=O)=O
InChIInChI=1S/C17H33NO3S.CH4/c1-2-3-4-5-6-7-8-9-10-11-16-12-14-18-15-13-17(18)21-22(16,19)20;/h16-17H,2-15H2,1H3;1H4
InChIKeyMUVHXLNWFSAYPB-UHFFFAOYSA-N
MW347.57 g/mol
LogP4.69
Rot. Bonds10

About methane;4-undecyl-6-oxa-5λ6-thia-1-azabicyclo[5.2.0]nonane 5,5-dioxide

methane;4-undecyl-6-oxa-5λ6-thia-1-azabicyclo[5.2.0]nonane 5,5-dioxide (PubChem CID 88782826) has the molecular formula C18H37NO3S and a molecular weight of 347.57 g/mol. Its IUPAC name is methane;4-undecyl-6-oxa-5λ6-thia-1-azabicyclo[5.2.0]nonane 5,5-dioxide.

Molecular Properties

Compound Namemethane;4-undecyl-6-oxa-5λ6-thia-1-azabicyclo[5.2.0]nonane 5,5-dioxide
PubChem CID88782826
Molecular FormulaC18H37NO3S
Molecular Weight347.57 g/mol
Exact Mass347.25
IUPAC Namemethane;4-undecyl-6-oxa-5λ6-thia-1-azabicyclo[5.2.0]nonane 5,5-dioxide
SMILESC.CCCCCCCCCCCC1CCN2CCC2OS1(=O)=O
InChIInChI=1S/C17H33NO3S.CH4/c1-2-3-4-5-6-7-8-9-10-11-16-12-14-18-15-13-17(18)21-22(16,19)20;/h16-17H,2-15H2,1H3;1H4
InChIKeyMUVHXLNWFSAYPB-UHFFFAOYSA-N
XLogP4.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.57
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methane;4-undecyl-6-oxa-5λ6-thia-1-azabicyclo[5.2.0]nonane 5,5-dioxide?
The IUPAC name of methane;4-undecyl-6-oxa-5λ6-thia-1-azabicyclo[5.2.0]nonane 5,5-dioxide (CID 88782826) is methane;4-undecyl-6-oxa-5λ6-thia-1-azabicyclo[5.2.0]nonane 5,5-dioxide.
What is the SMILES notation for methane;4-undecyl-6-oxa-5λ6-thia-1-azabicyclo[5.2.0]nonane 5,5-dioxide?
The canonical SMILES for methane;4-undecyl-6-oxa-5λ6-thia-1-azabicyclo[5.2.0]nonane 5,5-dioxide is C.CCCCCCCCCCCC1CCN2CCC2OS1(=O)=O.
What is the InChIKey of methane;4-undecyl-6-oxa-5λ6-thia-1-azabicyclo[5.2.0]nonane 5,5-dioxide?
The InChIKey is MUVHXLNWFSAYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3S.CH4/c1-2-3-4-5-6-7-8-9-10-11-16-12-14-18-15-13-17(18)21-22(16,19)20;/h16-17H,2-15H2,1H3;1H4.
What are the key properties of methane;4-undecyl-6-oxa-5λ6-thia-1-azabicyclo[5.2.0]nonane 5,5-dioxide?
methane;4-undecyl-6-oxa-5λ6-thia-1-azabicyclo[5.2.0]nonane 5,5-dioxide has a molecular weight of 347.57 g/mol, XLogP of 4.69, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-undecyl-6-oxa-5λ6-thia-1-azabicyclo[5.2.0]nonane 5,5-dioxide is sourced from PubChem (CID 88782826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).