(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)-thiophen-2-ylmethanone

C17H24N2O2S — CID 131643837

IUPAC(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC2(CC1)CC(N1CCCC1)CO2
InChIInChI=1S/C17H24N2O2S/c20-16(15-4-3-11-22-15)19-9-5-17(6-10-19)12-14(13-21-17)18-7-1-2-8-18/h3-4,11,14H,1-2,5-10,12-13H2
InChIKeyNIHRQJIQMMPGDK-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.61
Rot. Bonds2

About (3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)-thiophen-2-ylmethanone

(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)-thiophen-2-ylmethanone (PubChem CID 131643837) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is (3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)-thiophen-2-ylmethanone
PubChem CID131643837
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC2(CC1)CC(N1CCCC1)CO2
InChIInChI=1S/C17H24N2O2S/c20-16(15-4-3-11-22-15)19-9-5-17(6-10-19)12-14(13-21-17)18-7-1-2-8-18/h3-4,11,14H,1-2,5-10,12-13H2
InChIKeyNIHRQJIQMMPGDK-UHFFFAOYSA-N
XLogP2.61
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)-thiophen-2-ylmethanone?
The IUPAC name of (3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)-thiophen-2-ylmethanone (CID 131643837) is (3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC2(CC1)CC(N1CCCC1)CO2.
What is the InChIKey of (3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)-thiophen-2-ylmethanone?
The InChIKey is NIHRQJIQMMPGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c20-16(15-4-3-11-22-15)19-9-5-17(6-10-19)12-14(13-21-17)18-7-1-2-8-18/h3-4,11,14H,1-2,5-10,12-13H2.
What are the key properties of (3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)-thiophen-2-ylmethanone?
(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)-thiophen-2-ylmethanone has a molecular weight of 320.46 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 131643837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).