[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

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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).