5-[(dimethylamino)methyl]-N-(3-methylsulfanylpropyl)furan-2-carboxamide

C12H20N2O2S — CID 74238127

IUPAC5-[(dimethylamino)methyl]-N-(3-methylsulfanylpropyl)furan-2-carboxamide
SMILESCSCCCNC(=O)c1ccc(CN(C)C)o1
InChIInChI=1S/C12H20N2O2S/c1-14(2)9-10-5-6-11(16-10)12(15)13-7-4-8-17-3/h5-6H,4,7-9H2,1-3H3,(H,13,15)
InChIKeyCERNFFMPDRLTHW-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.82
Rot. Bonds7

About 5-[(dimethylamino)methyl]-N-(3-methylsulfanylpropyl)furan-2-carboxamide

5-[(dimethylamino)methyl]-N-(3-methylsulfanylpropyl)furan-2-carboxamide (PubChem CID 74238127) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-N-(3-methylsulfanylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-N-(3-methylsulfanylpropyl)furan-2-carboxamide
PubChem CID74238127
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name5-[(dimethylamino)methyl]-N-(3-methylsulfanylpropyl)furan-2-carboxamide
SMILESCSCCCNC(=O)c1ccc(CN(C)C)o1
InChIInChI=1S/C12H20N2O2S/c1-14(2)9-10-5-6-11(16-10)12(15)13-7-4-8-17-3/h5-6H,4,7-9H2,1-3H3,(H,13,15)
InChIKeyCERNFFMPDRLTHW-UHFFFAOYSA-N
XLogP1.82
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-N-(3-methylsulfanylpropyl)furan-2-carboxamide?
The IUPAC name of 5-[(dimethylamino)methyl]-N-(3-methylsulfanylpropyl)furan-2-carboxamide (CID 74238127) is 5-[(dimethylamino)methyl]-N-(3-methylsulfanylpropyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(dimethylamino)methyl]-N-(3-methylsulfanylpropyl)furan-2-carboxamide?
The canonical SMILES for 5-[(dimethylamino)methyl]-N-(3-methylsulfanylpropyl)furan-2-carboxamide is CSCCCNC(=O)c1ccc(CN(C)C)o1.
What is the InChIKey of 5-[(dimethylamino)methyl]-N-(3-methylsulfanylpropyl)furan-2-carboxamide?
The InChIKey is CERNFFMPDRLTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-14(2)9-10-5-6-11(16-10)12(15)13-7-4-8-17-3/h5-6H,4,7-9H2,1-3H3,(H,13,15).
What are the key properties of 5-[(dimethylamino)methyl]-N-(3-methylsulfanylpropyl)furan-2-carboxamide?
5-[(dimethylamino)methyl]-N-(3-methylsulfanylpropyl)furan-2-carboxamide has a molecular weight of 256.37 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-N-(3-methylsulfanylpropyl)furan-2-carboxamide is sourced from PubChem (CID 74238127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).