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

C15H24N2O6S — CID 20937108

IUPACN-(3-methoxypropyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCOCCCNC(=O)C1=C(C)C(=O)OC12CCN(S(C)(=O)=O)CC2
InChIInChI=1S/C15H24N2O6S/c1-11-12(13(18)16-7-4-10-22-2)15(23-14(11)19)5-8-17(9-6-15)24(3,20)21/h4-10H2,1-3H3,(H,16,18)
InChIKeyBCYHFPSXDVSDMC-UHFFFAOYSA-N
MW360.43 g/mol
LogP-0.19
Rot. Bonds6

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

N-(3-methoxypropyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 20937108) has the molecular formula C15H24N2O6S and a molecular weight of 360.43 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID20937108
Molecular FormulaC15H24N2O6S
Molecular Weight360.43 g/mol
Exact Mass360.14
IUPAC NameN-(3-methoxypropyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCOCCCNC(=O)C1=C(C)C(=O)OC12CCN(S(C)(=O)=O)CC2
InChIInChI=1S/C15H24N2O6S/c1-11-12(13(18)16-7-4-10-22-2)15(23-14(11)19)5-8-17(9-6-15)24(3,20)21/h4-10H2,1-3H3,(H,16,18)
InChIKeyBCYHFPSXDVSDMC-UHFFFAOYSA-N
XLogP-0.19
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 5-0.19
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-(3-methoxypropyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (CID 20937108) is N-(3-methoxypropyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is COCCCNC(=O)C1=C(C)C(=O)OC12CCN(S(C)(=O)=O)CC2.
What is the InChIKey of N-(3-methoxypropyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is BCYHFPSXDVSDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O6S/c1-11-12(13(18)16-7-4-10-22-2)15(23-14(11)19)5-8-17(9-6-15)24(3,20)21/h4-10H2,1-3H3,(H,16,18).
What are the key properties of N-(3-methoxypropyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
N-(3-methoxypropyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 360.43 g/mol, XLogP of -0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 20937108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).