1-(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone

C17H26N2O2S — CID 131656263

IUPAC1-(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone
SMILESCCN1CCOCC2(CCCN(C(=O)Cc3ccsc3)C2)C1
InChIInChI=1S/C17H26N2O2S/c1-2-18-7-8-21-14-17(12-18)5-3-6-19(13-17)16(20)10-15-4-9-22-11-15/h4,9,11H,2-3,5-8,10,12-14H2,1H3
InChIKeyUJIQSACLCDOJQH-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.25
Rot. Bonds3

About 1-(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone

1-(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone (PubChem CID 131656263) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 1-(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone
PubChem CID131656263
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name1-(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone
SMILESCCN1CCOCC2(CCCN(C(=O)Cc3ccsc3)C2)C1
InChIInChI=1S/C17H26N2O2S/c1-2-18-7-8-21-14-17(12-18)5-3-6-19(13-17)16(20)10-15-4-9-22-11-15/h4,9,11H,2-3,5-8,10,12-14H2,1H3
InChIKeyUJIQSACLCDOJQH-UHFFFAOYSA-N
XLogP2.25
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone 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 1-(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone (CID 131656263) is 1-(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone is CCN1CCOCC2(CCCN(C(=O)Cc3ccsc3)C2)C1.
What is the InChIKey of 1-(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone?
The InChIKey is UJIQSACLCDOJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-2-18-7-8-21-14-17(12-18)5-3-6-19(13-17)16(20)10-15-4-9-22-11-15/h4,9,11H,2-3,5-8,10,12-14H2,1H3.
What are the key properties of 1-(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone?
1-(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone has a molecular weight of 322.47 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 131656263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).