N-ethyl-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

C14H22N2O5S — CID 45106749

IUPACN-ethyl-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCNC(=O)C1=C(C)C(=O)OC12CCN(S(=O)(=O)CC)CC2
InChIInChI=1S/C14H22N2O5S/c1-4-15-12(17)11-10(3)13(18)21-14(11)6-8-16(9-7-14)22(19,20)5-2/h4-9H2,1-3H3,(H,15,17)
InChIKeyFAVDAVZGTZPCRM-UHFFFAOYSA-N
MW330.41 g/mol
LogP0.18
Rot. Bonds4

About N-ethyl-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

N-ethyl-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 45106749) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-ethyl-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID45106749
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN-ethyl-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCNC(=O)C1=C(C)C(=O)OC12CCN(S(=O)(=O)CC)CC2
InChIInChI=1S/C14H22N2O5S/c1-4-15-12(17)11-10(3)13(18)21-14(11)6-8-16(9-7-14)22(19,20)5-2/h4-9H2,1-3H3,(H,15,17)
InChIKeyFAVDAVZGTZPCRM-UHFFFAOYSA-N
XLogP0.18
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of N-ethyl-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (CID 45106749) is N-ethyl-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for N-ethyl-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for N-ethyl-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is CCNC(=O)C1=C(C)C(=O)OC12CCN(S(=O)(=O)CC)CC2.
What is the InChIKey of N-ethyl-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is FAVDAVZGTZPCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-4-15-12(17)11-10(3)13(18)21-14(11)6-8-16(9-7-14)22(19,20)5-2/h4-9H2,1-3H3,(H,15,17).
What are the key properties of N-ethyl-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
N-ethyl-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 45106749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).