1-[2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-thiophen-2-ylethanone

C17H26N2O3S — CID 118743054

IUPAC1-[2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-thiophen-2-ylethanone
SMILESCOCCN1CCC2(COCCN(C(=O)Cc3cccs3)C2)C1
InChIInChI=1S/C17H26N2O3S/c1-21-8-6-18-5-4-17(12-18)13-19(7-9-22-14-17)16(20)11-15-3-2-10-23-15/h2-3,10H,4-9,11-14H2,1H3
InChIKeyJJLRSBFWQCQNCI-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.49
Rot. Bonds5

About 1-[2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-thiophen-2-ylethanone

1-[2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-thiophen-2-ylethanone (PubChem CID 118743054) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 1-[2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-thiophen-2-ylethanone
PubChem CID118743054
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name1-[2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-thiophen-2-ylethanone
SMILESCOCCN1CCC2(COCCN(C(=O)Cc3cccs3)C2)C1
InChIInChI=1S/C17H26N2O3S/c1-21-8-6-18-5-4-17(12-18)13-19(7-9-22-14-17)16(20)11-15-3-2-10-23-15/h2-3,10H,4-9,11-14H2,1H3
InChIKeyJJLRSBFWQCQNCI-UHFFFAOYSA-N
XLogP1.49
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-thiophen-2-ylethanone (CID 118743054) is 1-[2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-thiophen-2-ylethanone is COCCN1CCC2(COCCN(C(=O)Cc3cccs3)C2)C1.
What is the InChIKey of 1-[2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-thiophen-2-ylethanone?
The InChIKey is JJLRSBFWQCQNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-21-8-6-18-5-4-17(12-18)13-19(7-9-22-14-17)16(20)11-15-3-2-10-23-15/h2-3,10H,4-9,11-14H2,1H3.
What are the key properties of 1-[2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-thiophen-2-ylethanone?
1-[2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-thiophen-2-ylethanone has a molecular weight of 338.47 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 118743054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).