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

C14H22N2O5S — CID 45106768

IUPAC3-methyl-8-methylsulfonyl-2-oxo-N-propyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCCNC(=O)C1=C(C)C(=O)OC12CCN(S(C)(=O)=O)CC2
InChIInChI=1S/C14H22N2O5S/c1-4-7-15-12(17)11-10(2)13(18)21-14(11)5-8-16(9-6-14)22(3,19)20/h4-9H2,1-3H3,(H,15,17)
InChIKeySJBBUCLFIJCEFG-UHFFFAOYSA-N
MW330.41 g/mol
LogP0.18
Rot. Bonds4

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

3-methyl-8-methylsulfonyl-2-oxo-N-propyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 45106768) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-methyl-8-methylsulfonyl-2-oxo-N-propyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound Name3-methyl-8-methylsulfonyl-2-oxo-N-propyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID45106768
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name3-methyl-8-methylsulfonyl-2-oxo-N-propyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCCCNC(=O)C1=C(C)C(=O)OC12CCN(S(C)(=O)=O)CC2
InChIInChI=1S/C14H22N2O5S/c1-4-7-15-12(17)11-10(2)13(18)21-14(11)5-8-16(9-6-14)22(3,19)20/h4-9H2,1-3H3,(H,15,17)
InChIKeySJBBUCLFIJCEFG-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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Related Compounds

CID 20906658
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CID 45106749
CID 45106749
CID 20906670
CID 20906670
CID 20906677
CID 20906677
CID 20906683
CID 20906683
CID 20906685
CID 20906685
CID 20906701
CID 20906701
CID 20906705
CID 20906705
CID 20906707
CID 20906707
CID 20906708
CID 20906708
CID 20906718
CID 20906718
CID 20906730
CID 20906730

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-methylsulfonyl-2-oxo-N-propyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of 3-methyl-8-methylsulfonyl-2-oxo-N-propyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (CID 45106768) is 3-methyl-8-methylsulfonyl-2-oxo-N-propyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for 3-methyl-8-methylsulfonyl-2-oxo-N-propyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for 3-methyl-8-methylsulfonyl-2-oxo-N-propyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is CCCNC(=O)C1=C(C)C(=O)OC12CCN(S(C)(=O)=O)CC2.
What is the InChIKey of 3-methyl-8-methylsulfonyl-2-oxo-N-propyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is SJBBUCLFIJCEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-4-7-15-12(17)11-10(2)13(18)21-14(11)5-8-16(9-6-14)22(3,19)20/h4-9H2,1-3H3,(H,15,17).
What are the key properties of 3-methyl-8-methylsulfonyl-2-oxo-N-propyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
3-methyl-8-methylsulfonyl-2-oxo-N-propyl-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 3-methyl-8-methylsulfonyl-2-oxo-N-propyl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 45106768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).