[2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone

C18H22N2O3S — CID 131658564

IUPAC[2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCOCC2(CCN(Cc3ccco3)C2)C1
InChIInChI=1S/C18H22N2O3S/c21-17(16-4-2-10-24-16)20-7-9-22-14-18(13-20)5-6-19(12-18)11-15-3-1-8-23-15/h1-4,8,10H,5-7,9,11-14H2
InChIKeyYEUSXSCYSAGFHS-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.71
Rot. Bonds3

About [2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone

[2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone (PubChem CID 131658564) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is [2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone
PubChem CID131658564
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name[2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCOCC2(CCN(Cc3ccco3)C2)C1
InChIInChI=1S/C18H22N2O3S/c21-17(16-4-2-10-24-16)20-7-9-22-14-18(13-20)5-6-19(12-18)11-15-3-1-8-23-15/h1-4,8,10H,5-7,9,11-14H2
InChIKeyYEUSXSCYSAGFHS-UHFFFAOYSA-N
XLogP2.71
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone
CID 97384978
[(5R)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone
CID 97384979
[(5R)-2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(oxan-4-yl)methanone
CID 97472191
[2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-thiophen-2-ylmethanone
CID 134808144
(5-methylfuran-2-yl)-[2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 131658138
pyrrolidin-1-yl-[2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 118743387
(5R)-10-cyclopropylsulfonyl-2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472187
2-methoxy-1-[(5S)-2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]ethanone
CID 97472208
(5R)-2-(furan-2-ylmethyl)-10-(pyridin-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472155
2-(furan-2-ylmethyl)-10-(pyridin-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 171696094
1H-pyrrol-2-yl-[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 134070761
[(5R)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone
CID 97370418

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone (CID 131658564) is [2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCOCC2(CCN(Cc3ccco3)C2)C1.
What is the InChIKey of [2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone?
The InChIKey is YEUSXSCYSAGFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c21-17(16-4-2-10-24-16)20-7-9-22-14-18(13-20)5-6-19(12-18)11-15-3-1-8-23-15/h1-4,8,10H,5-7,9,11-14H2.
What are the key properties of [2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone?
[2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone has a molecular weight of 346.45 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 131658564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).