N-(2-methoxyethyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

C14H22N2O6S — CID 20937104

IUPACN-(2-methoxyethyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCOCCNC(=O)C1=C(C)C(=O)OC12CCN(S(C)(=O)=O)CC2
InChIInChI=1S/C14H22N2O6S/c1-10-11(12(17)15-6-9-21-2)14(22-13(10)18)4-7-16(8-5-14)23(3,19)20/h4-9H2,1-3H3,(H,15,17)
InChIKeyRNKLDLQCDCBHGM-UHFFFAOYSA-N
MW346.41 g/mol
LogP-0.58
Rot. Bonds5

About N-(2-methoxyethyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

N-(2-methoxyethyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 20937104) has the molecular formula C14H22N2O6S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID20937104
Molecular FormulaC14H22N2O6S
Molecular Weight346.41 g/mol
Exact Mass346.12
IUPAC NameN-(2-methoxyethyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCOCCNC(=O)C1=C(C)C(=O)OC12CCN(S(C)(=O)=O)CC2
InChIInChI=1S/C14H22N2O6S/c1-10-11(12(17)15-6-9-21-2)14(22-13(10)18)4-7-16(8-5-14)23(3,19)20/h4-9H2,1-3H3,(H,15,17)
InChIKeyRNKLDLQCDCBHGM-UHFFFAOYSA-N
XLogP-0.58
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (CID 20937104) is N-(2-methoxyethyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is COCCNC(=O)C1=C(C)C(=O)OC12CCN(S(C)(=O)=O)CC2.
What is the InChIKey of N-(2-methoxyethyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is RNKLDLQCDCBHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O6S/c1-10-11(12(17)15-6-9-21-2)14(22-13(10)18)4-7-16(8-5-14)23(3,19)20/h4-9H2,1-3H3,(H,15,17).
What are the key properties of N-(2-methoxyethyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
N-(2-methoxyethyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 346.41 g/mol, XLogP of -0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 20937104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).