2-[[5-(aminomethyl)furan-2-yl]methylsulfinyl]-N,N-diethylacetamide

C12H20N2O3S — CID 114232919

IUPAC2-[[5-(aminomethyl)furan-2-yl]methylsulfinyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CS(=O)Cc1ccc(CN)o1
InChIInChI=1S/C12H20N2O3S/c1-3-14(4-2)12(15)9-18(16)8-11-6-5-10(7-13)17-11/h5-6H,3-4,7-9,13H2,1-2H3
InChIKeyKLOXVJPGVJNDCT-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.86
Rot. Bonds7

About 2-[[5-(aminomethyl)furan-2-yl]methylsulfinyl]-N,N-diethylacetamide

2-[[5-(aminomethyl)furan-2-yl]methylsulfinyl]-N,N-diethylacetamide (PubChem CID 114232919) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)furan-2-yl]methylsulfinyl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[5-(aminomethyl)furan-2-yl]methylsulfinyl]-N,N-diethylacetamide
PubChem CID114232919
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-[[5-(aminomethyl)furan-2-yl]methylsulfinyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CS(=O)Cc1ccc(CN)o1
InChIInChI=1S/C12H20N2O3S/c1-3-14(4-2)12(15)9-18(16)8-11-6-5-10(7-13)17-11/h5-6H,3-4,7-9,13H2,1-2H3
InChIKeyKLOXVJPGVJNDCT-UHFFFAOYSA-N
XLogP0.86
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(aminomethyl)furan-2-yl]methylsulfinyl]-N,N-diethylacetamide?
The IUPAC name of 2-[[5-(aminomethyl)furan-2-yl]methylsulfinyl]-N,N-diethylacetamide (CID 114232919) is 2-[[5-(aminomethyl)furan-2-yl]methylsulfinyl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[5-(aminomethyl)furan-2-yl]methylsulfinyl]-N,N-diethylacetamide?
The canonical SMILES for 2-[[5-(aminomethyl)furan-2-yl]methylsulfinyl]-N,N-diethylacetamide is CCN(CC)C(=O)CS(=O)Cc1ccc(CN)o1.
What is the InChIKey of 2-[[5-(aminomethyl)furan-2-yl]methylsulfinyl]-N,N-diethylacetamide?
The InChIKey is KLOXVJPGVJNDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-3-14(4-2)12(15)9-18(16)8-11-6-5-10(7-13)17-11/h5-6H,3-4,7-9,13H2,1-2H3.
What are the key properties of 2-[[5-(aminomethyl)furan-2-yl]methylsulfinyl]-N,N-diethylacetamide?
2-[[5-(aminomethyl)furan-2-yl]methylsulfinyl]-N,N-diethylacetamide has a molecular weight of 272.37 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(aminomethyl)furan-2-yl]methylsulfinyl]-N,N-diethylacetamide is sourced from PubChem (CID 114232919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).