pyrrolidin-1-yl-[2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone

C18H24N2O3S — CID 118739448

IUPACpyrrolidin-1-yl-[2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone
SMILESO=C(c1cccs1)N1CC(C(=O)N2CCCC2)C2(CCOCC2)C1
InChIInChI=1S/C18H24N2O3S/c21-16(19-7-1-2-8-19)14-12-20(17(22)15-4-3-11-24-15)13-18(14)5-9-23-10-6-18/h3-4,11,14H,1-2,5-10,12-13H2
InChIKeyXHATXDKMEQDYAT-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.24
Rot. Bonds2

About pyrrolidin-1-yl-[2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone

pyrrolidin-1-yl-[2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone (PubChem CID 118739448) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is pyrrolidin-1-yl-[2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone
PubChem CID118739448
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Namepyrrolidin-1-yl-[2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone
SMILESO=C(c1cccs1)N1CC(C(=O)N2CCCC2)C2(CCOCC2)C1
InChIInChI=1S/C18H24N2O3S/c21-16(19-7-1-2-8-19)14-12-20(17(22)15-4-3-11-24-15)13-18(14)5-9-23-10-6-18/h3-4,11,14H,1-2,5-10,12-13H2
InChIKeyXHATXDKMEQDYAT-UHFFFAOYSA-N
XLogP2.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone (CID 118739448) is pyrrolidin-1-yl-[2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone is O=C(c1cccs1)N1CC(C(=O)N2CCCC2)C2(CCOCC2)C1.
What is the InChIKey of pyrrolidin-1-yl-[2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone?
The InChIKey is XHATXDKMEQDYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c21-16(19-7-1-2-8-19)14-12-20(17(22)15-4-3-11-24-15)13-18(14)5-9-23-10-6-18/h3-4,11,14H,1-2,5-10,12-13H2.
What are the key properties of pyrrolidin-1-yl-[2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone?
pyrrolidin-1-yl-[2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone has a molecular weight of 348.47 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone is sourced from PubChem (CID 118739448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).