[7-(furan-2-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]-thiophen-3-ylmethanone

C17H20N2O2S — CID 97412792

IUPAC[7-(furan-2-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC12CCN(Cc1ccco1)CC2
InChIInChI=1S/C17H20N2O2S/c20-16(14-3-11-22-13-14)19-9-6-17(19)4-7-18(8-5-17)12-15-2-1-10-21-15/h1-3,10-11,13H,4-9,12H2
InChIKeyUTXZASAEZGHEDN-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.22
Rot. Bonds3

About [7-(furan-2-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]-thiophen-3-ylmethanone

[7-(furan-2-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]-thiophen-3-ylmethanone (PubChem CID 97412792) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is [7-(furan-2-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[7-(furan-2-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]-thiophen-3-ylmethanone
PubChem CID97412792
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name[7-(furan-2-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC12CCN(Cc1ccco1)CC2
InChIInChI=1S/C17H20N2O2S/c20-16(14-3-11-22-13-14)19-9-6-17(19)4-7-18(8-5-17)12-15-2-1-10-21-15/h1-3,10-11,13H,4-9,12H2
InChIKeyUTXZASAEZGHEDN-UHFFFAOYSA-N
XLogP3.22
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [7-(furan-2-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]-thiophen-3-ylmethanone with MolForge

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Related Compounds

4-(dimethylamino)-1-(furan-2-ylmethyl)piperidine-4-carboxylic acid
CID 117011999
[4-(furan-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 60656601
9-(furan-2-ylmethyl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155841444
[4-amino-1-(furan-2-ylmethyl)piperidin-4-yl]methanol
CID 117012092
1'-(furan-2-ylmethyl)-1-thiophen-3-ylspiro[indole-3,4'-piperidine]-2-one;2,2,2-trifluoroacetic acid
CID 155857961
3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 107321382
(3,5-dinitrophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19572404
8-(furan-2-ylmethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane
CID 97372623
[2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone
CID 131658564
8-(furan-2-ylmethyl)-1-methyl-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 131639615
2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 63680467
(5-bromofuran-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 154835228

Frequently Asked Questions

What is the IUPAC name of [7-(furan-2-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [7-(furan-2-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]-thiophen-3-ylmethanone (CID 97412792) is [7-(furan-2-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [7-(furan-2-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [7-(furan-2-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCC12CCN(Cc1ccco1)CC2.
What is the InChIKey of [7-(furan-2-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]-thiophen-3-ylmethanone?
The InChIKey is UTXZASAEZGHEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-16(14-3-11-22-13-14)19-9-6-17(19)4-7-18(8-5-17)12-15-2-1-10-21-15/h1-3,10-11,13H,4-9,12H2.
What are the key properties of [7-(furan-2-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]-thiophen-3-ylmethanone?
[7-(furan-2-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]-thiophen-3-ylmethanone has a molecular weight of 316.43 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(furan-2-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 97412792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).