furan-3-yl-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]methanone

C19H22N2O3S — CID 97370696

IUPACfuran-3-yl-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(c1ccoc1)N1CCC2(CC1)CCN(C(=O)c1cccs1)CC2
InChIInChI=1S/C19H22N2O3S/c22-17(15-3-12-24-14-15)20-8-4-19(5-9-20)6-10-21(11-7-19)18(23)16-2-1-13-25-16/h1-3,12-14H,4-11H2
InChIKeyBIWUETPJXCRADF-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.50
Rot. Bonds2

About furan-3-yl-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]methanone

furan-3-yl-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]methanone (PubChem CID 97370696) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is furan-3-yl-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]methanone
PubChem CID97370696
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Namefuran-3-yl-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(c1ccoc1)N1CCC2(CC1)CCN(C(=O)c1cccs1)CC2
InChIInChI=1S/C19H22N2O3S/c22-17(15-3-12-24-14-15)20-8-4-19(5-9-20)6-10-21(11-7-19)18(23)16-2-1-13-25-16/h1-3,12-14H,4-11H2
InChIKeyBIWUETPJXCRADF-UHFFFAOYSA-N
XLogP3.50
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97370699
furan-3-yl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 84592483
(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 64592496
1-[7-(furan-3-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone
CID 97472729
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 65466438
(3,3-difluoropyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 122269158
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
furan-3-yl-[2-(1,3-thiazol-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]methanone
CID 97472726
furan-3-yl-[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 32534308
(4-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119689026
furan-3-yl-[4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 133140726
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of furan-3-yl-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]methanone (CID 97370696) is furan-3-yl-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for furan-3-yl-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for furan-3-yl-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]methanone is O=C(c1ccoc1)N1CCC2(CC1)CCN(C(=O)c1cccs1)CC2.
What is the InChIKey of furan-3-yl-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is BIWUETPJXCRADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-17(15-3-12-24-14-15)20-8-4-19(5-9-20)6-10-21(11-7-19)18(23)16-2-1-13-25-16/h1-3,12-14H,4-11H2.
What are the key properties of furan-3-yl-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]methanone?
furan-3-yl-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 358.46 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 97370696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).