1,4-diazabicyclo[3.2.2]nonan-4-yl-[4-(furan-3-yl)thiophen-2-yl]methanone

C16H18N2O2S — CID 10380200

IUPAC1,4-diazabicyclo[3.2.2]nonan-4-yl-[4-(furan-3-yl)thiophen-2-yl]methanone
SMILESO=C(c1cc(-c2ccoc2)cs1)N1CCN2CCC1CC2
InChIInChI=1S/C16H18N2O2S/c19-16(18-7-6-17-4-1-14(18)2-5-17)15-9-13(11-21-15)12-3-8-20-10-12/h3,8-11,14H,1-2,4-7H2
InChIKeyZOADDVPJZZWKDO-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.93
Rot. Bonds2

About 1,4-diazabicyclo[3.2.2]nonan-4-yl-[4-(furan-3-yl)thiophen-2-yl]methanone

1,4-diazabicyclo[3.2.2]nonan-4-yl-[4-(furan-3-yl)thiophen-2-yl]methanone (PubChem CID 10380200) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1,4-diazabicyclo[3.2.2]nonan-4-yl-[4-(furan-3-yl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name1,4-diazabicyclo[3.2.2]nonan-4-yl-[4-(furan-3-yl)thiophen-2-yl]methanone
PubChem CID10380200
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name1,4-diazabicyclo[3.2.2]nonan-4-yl-[4-(furan-3-yl)thiophen-2-yl]methanone
SMILESO=C(c1cc(-c2ccoc2)cs1)N1CCN2CCC1CC2
InChIInChI=1S/C16H18N2O2S/c19-16(18-7-6-17-4-1-14(18)2-5-17)15-9-13(11-21-15)12-3-8-20-10-12/h3,8-11,14H,1-2,4-7H2
InChIKeyZOADDVPJZZWKDO-UHFFFAOYSA-N
XLogP2.93
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-diazabicyclo[3.2.2]nonan-4-yl-[4-(furan-3-yl)thiophen-2-yl]methanone?
The IUPAC name of 1,4-diazabicyclo[3.2.2]nonan-4-yl-[4-(furan-3-yl)thiophen-2-yl]methanone (CID 10380200) is 1,4-diazabicyclo[3.2.2]nonan-4-yl-[4-(furan-3-yl)thiophen-2-yl]methanone.
What is the SMILES notation for 1,4-diazabicyclo[3.2.2]nonan-4-yl-[4-(furan-3-yl)thiophen-2-yl]methanone?
The canonical SMILES for 1,4-diazabicyclo[3.2.2]nonan-4-yl-[4-(furan-3-yl)thiophen-2-yl]methanone is O=C(c1cc(-c2ccoc2)cs1)N1CCN2CCC1CC2.
What is the InChIKey of 1,4-diazabicyclo[3.2.2]nonan-4-yl-[4-(furan-3-yl)thiophen-2-yl]methanone?
The InChIKey is ZOADDVPJZZWKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-16(18-7-6-17-4-1-14(18)2-5-17)15-9-13(11-21-15)12-3-8-20-10-12/h3,8-11,14H,1-2,4-7H2.
What are the key properties of 1,4-diazabicyclo[3.2.2]nonan-4-yl-[4-(furan-3-yl)thiophen-2-yl]methanone?
1,4-diazabicyclo[3.2.2]nonan-4-yl-[4-(furan-3-yl)thiophen-2-yl]methanone has a molecular weight of 302.40 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazabicyclo[3.2.2]nonan-4-yl-[4-(furan-3-yl)thiophen-2-yl]methanone is sourced from PubChem (CID 10380200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).