[9-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-2-ylmethanone

C16H24N2O3S — CID 97450876

IUPAC[9-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-2-ylmethanone
SMILESCOCCN1CCC2(CC1)CN(C(=O)c1cccs1)CCO2
InChIInChI=1S/C16H24N2O3S/c1-20-10-8-17-6-4-16(5-7-17)13-18(9-11-21-16)15(19)14-3-2-12-22-14/h2-3,12H,4-11,13H2,1H3
InChIKeyNJANOUILJOQITF-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.70
Rot. Bonds4

About [9-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-2-ylmethanone

[9-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-2-ylmethanone (PubChem CID 97450876) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is [9-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[9-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-2-ylmethanone
PubChem CID97450876
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name[9-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-2-ylmethanone
SMILESCOCCN1CCC2(CC1)CN(C(=O)c1cccs1)CCO2
InChIInChI=1S/C16H24N2O3S/c1-20-10-8-17-6-4-16(5-7-17)13-18(9-11-21-16)15(19)14-3-2-12-22-14/h2-3,12H,4-11,13H2,1H3
InChIKeyNJANOUILJOQITF-UHFFFAOYSA-N
XLogP1.70
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [9-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-2-ylmethanone?
The IUPAC name of [9-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-2-ylmethanone (CID 97450876) is [9-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [9-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [9-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-2-ylmethanone is COCCN1CCC2(CC1)CN(C(=O)c1cccs1)CCO2.
What is the InChIKey of [9-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-2-ylmethanone?
The InChIKey is NJANOUILJOQITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-20-10-8-17-6-4-16(5-7-17)13-18(9-11-21-16)15(19)14-3-2-12-22-14/h2-3,12H,4-11,13H2,1H3.
What are the key properties of [9-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-2-ylmethanone?
[9-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-2-ylmethanone has a molecular weight of 324.45 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 97450876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).