furan-2-yl-[1-methyl-4-[(3-methylthiophen-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-9-yl]methanone

C20H27N3O2S — CID 56745078

IUPACfuran-2-yl-[1-methyl-4-[(3-methylthiophen-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-9-yl]methanone
SMILESCc1ccsc1CN1CCN(C)C2(CCN(C(=O)c3ccco3)CC2)C1
InChIInChI=1S/C20H27N3O2S/c1-16-5-13-26-18(16)14-22-11-10-21(2)20(15-22)6-8-23(9-7-20)19(24)17-4-3-12-25-17/h3-5,12-13H,6-11,14-15H2,1-2H3
InChIKeyGMMMUZOHICKCMX-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.07
Rot. Bonds3

About furan-2-yl-[1-methyl-4-[(3-methylthiophen-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-9-yl]methanone

furan-2-yl-[1-methyl-4-[(3-methylthiophen-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-9-yl]methanone (PubChem CID 56745078) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is furan-2-yl-[1-methyl-4-[(3-methylthiophen-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[1-methyl-4-[(3-methylthiophen-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-9-yl]methanone
PubChem CID56745078
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Namefuran-2-yl-[1-methyl-4-[(3-methylthiophen-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-9-yl]methanone
SMILESCc1ccsc1CN1CCN(C)C2(CCN(C(=O)c3ccco3)CC2)C1
InChIInChI=1S/C20H27N3O2S/c1-16-5-13-26-18(16)14-22-11-10-21(2)20(15-22)6-8-23(9-7-20)19(24)17-4-3-12-25-17/h3-5,12-13H,6-11,14-15H2,1-2H3
InChIKeyGMMMUZOHICKCMX-UHFFFAOYSA-N
XLogP3.07
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 97373327
furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
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CID 44582763
8-(furan-2-carbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
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CID 97150981
furan-2-yl-[2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone
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furan-2-yl-[4-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone
CID 3225269
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
furan-2-yl-[4-(1-thiophen-2-ylcyclopropanecarbonyl)piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[1-methyl-4-[(3-methylthiophen-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of furan-2-yl-[1-methyl-4-[(3-methylthiophen-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-9-yl]methanone (CID 56745078) is furan-2-yl-[1-methyl-4-[(3-methylthiophen-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for furan-2-yl-[1-methyl-4-[(3-methylthiophen-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for furan-2-yl-[1-methyl-4-[(3-methylthiophen-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-9-yl]methanone is Cc1ccsc1CN1CCN(C)C2(CCN(C(=O)c3ccco3)CC2)C1.
What is the InChIKey of furan-2-yl-[1-methyl-4-[(3-methylthiophen-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is GMMMUZOHICKCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-16-5-13-26-18(16)14-22-11-10-21(2)20(15-22)6-8-23(9-7-20)19(24)17-4-3-12-25-17/h3-5,12-13H,6-11,14-15H2,1-2H3.
What are the key properties of furan-2-yl-[1-methyl-4-[(3-methylthiophen-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-9-yl]methanone?
furan-2-yl-[1-methyl-4-[(3-methylthiophen-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 373.52 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[1-methyl-4-[(3-methylthiophen-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 56745078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).