[2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone

C19H26N2O4S — CID 118739810

IUPAC[2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccsc1C(=O)N1CC(C(=O)N2CCOCC2)C2(CCOCC2)C1
InChIInChI=1S/C19H26N2O4S/c1-14-2-11-26-16(14)18(23)21-12-15(17(22)20-5-9-25-10-6-20)19(13-21)3-7-24-8-4-19/h2,11,15H,3-10,12-13H2,1H3
InChIKeyRCFDPFUMCDFDIK-UHFFFAOYSA-N
MW378.49 g/mol
LogP1.78
Rot. Bonds2

About [2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone

[2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone (PubChem CID 118739810) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is [2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
PubChem CID118739810
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name[2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccsc1C(=O)N1CC(C(=O)N2CCOCC2)C2(CCOCC2)C1
InChIInChI=1S/C19H26N2O4S/c1-14-2-11-26-16(14)18(23)21-12-15(17(22)20-5-9-25-10-6-20)19(13-21)3-7-24-8-4-19/h2,11,15H,3-10,12-13H2,1H3
InChIKeyRCFDPFUMCDFDIK-UHFFFAOYSA-N
XLogP1.78
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone (CID 118739810) is [2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone is Cc1ccsc1C(=O)N1CC(C(=O)N2CCOCC2)C2(CCOCC2)C1.
What is the InChIKey of [2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone?
The InChIKey is RCFDPFUMCDFDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-14-2-11-26-16(14)18(23)21-12-15(17(22)20-5-9-25-10-6-20)19(13-21)3-7-24-8-4-19/h2,11,15H,3-10,12-13H2,1H3.
What are the key properties of [2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone?
[2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone has a molecular weight of 378.49 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118739810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).