N'-methyl-3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decane-8-sulfonohydrazide

C10H14N2O5S — CID 166663769

IUPACN'-methyl-3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decane-8-sulfonohydrazide
SMILESCNNS(=O)(=O)C1CC2CC1C1C(=O)OC(=O)C21
InChIInChI=1S/C10H14N2O5S/c1-11-12-18(15,16)6-3-4-2-5(6)8-7(4)9(13)17-10(8)14/h4-8,11-12H,2-3H2,1H3
InChIKeyKVDXKVBXMNCTQU-UHFFFAOYSA-N
MW274.30 g/mol
LogP-1.24
Rot. Bonds3

About N'-methyl-3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decane-8-sulfonohydrazide

N'-methyl-3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decane-8-sulfonohydrazide (PubChem CID 166663769) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is N'-methyl-3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decane-8-sulfonohydrazide.

Molecular Properties

Compound NameN'-methyl-3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decane-8-sulfonohydrazide
PubChem CID166663769
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC NameN'-methyl-3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decane-8-sulfonohydrazide
SMILESCNNS(=O)(=O)C1CC2CC1C1C(=O)OC(=O)C21
InChIInChI=1S/C10H14N2O5S/c1-11-12-18(15,16)6-3-4-2-5(6)8-7(4)9(13)17-10(8)14/h4-8,11-12H,2-3H2,1H3
InChIKeyKVDXKVBXMNCTQU-UHFFFAOYSA-N
XLogP-1.24
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decane-8-sulfonohydrazide?
The IUPAC name of N'-methyl-3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decane-8-sulfonohydrazide (CID 166663769) is N'-methyl-3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decane-8-sulfonohydrazide.
What is the SMILES notation for N'-methyl-3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decane-8-sulfonohydrazide?
The canonical SMILES for N'-methyl-3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decane-8-sulfonohydrazide is CNNS(=O)(=O)C1CC2CC1C1C(=O)OC(=O)C21.
What is the InChIKey of N'-methyl-3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decane-8-sulfonohydrazide?
The InChIKey is KVDXKVBXMNCTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-11-12-18(15,16)6-3-4-2-5(6)8-7(4)9(13)17-10(8)14/h4-8,11-12H,2-3H2,1H3.
What are the key properties of N'-methyl-3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decane-8-sulfonohydrazide?
N'-methyl-3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decane-8-sulfonohydrazide has a molecular weight of 274.30 g/mol, XLogP of -1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decane-8-sulfonohydrazide is sourced from PubChem (CID 166663769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).