[11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone

C17H26N2O3S — CID 131661217

IUPAC[11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone
SMILESCOCCN1CCOCC2(CCCN(C(=O)c3ccsc3)C2)C1
InChIInChI=1S/C17H26N2O3S/c1-21-8-6-18-7-9-22-14-17(12-18)4-2-5-19(13-17)16(20)15-3-10-23-11-15/h3,10-11H,2,4-9,12-14H2,1H3
InChIKeyOTQMDMPZBGJLSE-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.95
Rot. Bonds4

About [11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone

[11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone (PubChem CID 131661217) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is [11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone
PubChem CID131661217
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name[11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone
SMILESCOCCN1CCOCC2(CCCN(C(=O)c3ccsc3)C2)C1
InChIInChI=1S/C17H26N2O3S/c1-21-8-6-18-7-9-22-14-17(12-18)4-2-5-19(13-17)16(20)15-3-10-23-11-15/h3,10-11H,2,4-9,12-14H2,1H3
InChIKeyOTQMDMPZBGJLSE-UHFFFAOYSA-N
XLogP1.95
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone?
The IUPAC name of [11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone (CID 131661217) is [11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone is COCCN1CCOCC2(CCCN(C(=O)c3ccsc3)C2)C1.
What is the InChIKey of [11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone?
The InChIKey is OTQMDMPZBGJLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-21-8-6-18-7-9-22-14-17(12-18)4-2-5-19(13-17)16(20)15-3-10-23-11-15/h3,10-11H,2,4-9,12-14H2,1H3.
What are the key properties of [11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone?
[11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone has a molecular weight of 338.47 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 131661217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).