3-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)thiophene-2-carboxamide

C18H24N2O2S — CID 97397443

IUPAC3-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)thiophene-2-carboxamide
SMILESC=CCN1C(=O)CCC12CCC(NC(=O)c1sccc1C)CC2
InChIInChI=1S/C18H24N2O2S/c1-3-11-20-15(21)6-10-18(20)8-4-14(5-9-18)19-17(22)16-13(2)7-12-23-16/h3,7,12,14H,1,4-6,8-11H2,2H3,(H,19,22)
InChIKeyUJQMLRAKMRBRMP-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.28
Rot. Bonds4

About 3-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)thiophene-2-carboxamide

3-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)thiophene-2-carboxamide (PubChem CID 97397443) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 3-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)thiophene-2-carboxamide
PubChem CID97397443
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name3-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)thiophene-2-carboxamide
SMILESC=CCN1C(=O)CCC12CCC(NC(=O)c1sccc1C)CC2
InChIInChI=1S/C18H24N2O2S/c1-3-11-20-15(21)6-10-18(20)8-4-14(5-9-18)19-17(22)16-13(2)7-12-23-16/h3,7,12,14H,1,4-6,8-11H2,2H3,(H,19,22)
InChIKeyUJQMLRAKMRBRMP-UHFFFAOYSA-N
XLogP3.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)thiophene-2-carboxamide (CID 97397443) is 3-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)thiophene-2-carboxamide is C=CCN1C(=O)CCC12CCC(NC(=O)c1sccc1C)CC2.
What is the InChIKey of 3-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)thiophene-2-carboxamide?
The InChIKey is UJQMLRAKMRBRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-3-11-20-15(21)6-10-18(20)8-4-14(5-9-18)19-17(22)16-13(2)7-12-23-16/h3,7,12,14H,1,4-6,8-11H2,2H3,(H,19,22).
What are the key properties of 3-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)thiophene-2-carboxamide?
3-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)thiophene-2-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)thiophene-2-carboxamide is sourced from PubChem (CID 97397443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).