(6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-(3-phenylthiophen-2-yl)methanone

C20H24N2O2S — CID 138016232

IUPAC(6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-(3-phenylthiophen-2-yl)methanone
SMILESCCN1CCN(C(=O)c2sccc2-c2ccccc2)CC12CCOC2
InChIInChI=1S/C20H24N2O2S/c1-2-22-11-10-21(14-20(22)9-12-24-15-20)19(23)18-17(8-13-25-18)16-6-4-3-5-7-16/h3-8,13H,2,9-12,14-15H2,1H3
InChIKeyUQIPYBFPSKTCKK-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.35
Rot. Bonds3

About (6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-(3-phenylthiophen-2-yl)methanone

(6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-(3-phenylthiophen-2-yl)methanone (PubChem CID 138016232) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is (6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-(3-phenylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-(3-phenylthiophen-2-yl)methanone
PubChem CID138016232
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name(6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-(3-phenylthiophen-2-yl)methanone
SMILESCCN1CCN(C(=O)c2sccc2-c2ccccc2)CC12CCOC2
InChIInChI=1S/C20H24N2O2S/c1-2-22-11-10-21(14-20(22)9-12-24-15-20)19(23)18-17(8-13-25-18)16-6-4-3-5-7-16/h3-8,13H,2,9-12,14-15H2,1H3
InChIKeyUQIPYBFPSKTCKK-UHFFFAOYSA-N
XLogP3.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-(3-phenylthiophen-2-yl)methanone?
The IUPAC name of (6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-(3-phenylthiophen-2-yl)methanone (CID 138016232) is (6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-(3-phenylthiophen-2-yl)methanone.
What is the SMILES notation for (6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-(3-phenylthiophen-2-yl)methanone?
The canonical SMILES for (6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-(3-phenylthiophen-2-yl)methanone is CCN1CCN(C(=O)c2sccc2-c2ccccc2)CC12CCOC2.
What is the InChIKey of (6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-(3-phenylthiophen-2-yl)methanone?
The InChIKey is UQIPYBFPSKTCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-2-22-11-10-21(14-20(22)9-12-24-15-20)19(23)18-17(8-13-25-18)16-6-4-3-5-7-16/h3-8,13H,2,9-12,14-15H2,1H3.
What are the key properties of (6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-(3-phenylthiophen-2-yl)methanone?
(6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-(3-phenylthiophen-2-yl)methanone has a molecular weight of 356.49 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-(3-phenylthiophen-2-yl)methanone is sourced from PubChem (CID 138016232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).