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

C16H24N2O2S — CID 131644445

IUPAC1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone
SMILESCN1CCOCC2(CCCN(C(=O)Cc3ccsc3)C2)C1
InChIInChI=1S/C16H24N2O2S/c1-17-6-7-20-13-16(11-17)4-2-5-18(12-16)15(19)9-14-3-8-21-10-14/h3,8,10H,2,4-7,9,11-13H2,1H3
InChIKeyJOHPSTBXTDOWFO-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.86
Rot. Bonds2

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

1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone (PubChem CID 131644445) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone
PubChem CID131644445
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone
SMILESCN1CCOCC2(CCCN(C(=O)Cc3ccsc3)C2)C1
InChIInChI=1S/C16H24N2O2S/c1-17-6-7-20-13-16(11-17)4-2-5-18(12-16)15(19)9-14-3-8-21-10-14/h3,8,10H,2,4-7,9,11-13H2,1H3
InChIKeyJOHPSTBXTDOWFO-UHFFFAOYSA-N
XLogP1.86
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone (CID 131644445) is 1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone is CN1CCOCC2(CCCN(C(=O)Cc3ccsc3)C2)C1.
What is the InChIKey of 1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone?
The InChIKey is JOHPSTBXTDOWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-17-6-7-20-13-16(11-17)4-2-5-18(12-16)15(19)9-14-3-8-21-10-14/h3,8,10H,2,4-7,9,11-13H2,1H3.
What are the key properties of 1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone?
1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone has a molecular weight of 308.45 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 131644445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).