[2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone

C19H26N2O3S — CID 118739618

IUPAC[2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccsc1C(=O)N1CC(C(=O)N2CCCC2)C2(CCOCC2)C1
InChIInChI=1S/C19H26N2O3S/c1-14-4-11-25-16(14)18(23)21-12-15(17(22)20-7-2-3-8-20)19(13-21)5-9-24-10-6-19/h4,11,15H,2-3,5-10,12-13H2,1H3
InChIKeySZGUWJOZVHIMHT-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.55
Rot. Bonds2

About [2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone

[2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 118739618) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is [2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID118739618
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name[2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccsc1C(=O)N1CC(C(=O)N2CCCC2)C2(CCOCC2)C1
InChIInChI=1S/C19H26N2O3S/c1-14-4-11-25-16(14)18(23)21-12-15(17(22)20-7-2-3-8-20)19(13-21)5-9-24-10-6-19/h4,11,15H,2-3,5-10,12-13H2,1H3
InChIKeySZGUWJOZVHIMHT-UHFFFAOYSA-N
XLogP2.55
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone (CID 118739618) is [2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone is Cc1ccsc1C(=O)N1CC(C(=O)N2CCCC2)C2(CCOCC2)C1.
What is the InChIKey of [2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is SZGUWJOZVHIMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-14-4-11-25-16(14)18(23)21-12-15(17(22)20-7-2-3-8-20)19(13-21)5-9-24-10-6-19/h4,11,15H,2-3,5-10,12-13H2,1H3.
What are the key properties of [2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone?
[2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 362.50 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 118739618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).