5-(2-aminoethylsulfanylmethyl)furan-2-carboxamide

C8H12N2O2S — CID 86277902

IUPAC5-(2-aminoethylsulfanylmethyl)furan-2-carboxamide
SMILESNCCSCc1ccc(C(N)=O)o1
InChIInChI=1S/C8H12N2O2S/c9-3-4-13-5-6-1-2-7(12-6)8(10)11/h1-2H,3-5,9H2,(H2,10,11)
InChIKeyDBMVMQRHROKWHZ-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.57
Rot. Bonds5

About 5-(2-aminoethylsulfanylmethyl)furan-2-carboxamide

5-(2-aminoethylsulfanylmethyl)furan-2-carboxamide (PubChem CID 86277902) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 5-(2-aminoethylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-aminoethylsulfanylmethyl)furan-2-carboxamide
PubChem CID86277902
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name5-(2-aminoethylsulfanylmethyl)furan-2-carboxamide
SMILESNCCSCc1ccc(C(N)=O)o1
InChIInChI=1S/C8H12N2O2S/c9-3-4-13-5-6-1-2-7(12-6)8(10)11/h1-2H,3-5,9H2,(H2,10,11)
InChIKeyDBMVMQRHROKWHZ-UHFFFAOYSA-N
XLogP0.57
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.57
H-Bond Donors ≤ 52
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-(2-aminoethylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of 5-(2-aminoethylsulfanylmethyl)furan-2-carboxamide (CID 86277902) is 5-(2-aminoethylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(2-aminoethylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-(2-aminoethylsulfanylmethyl)furan-2-carboxamide is NCCSCc1ccc(C(N)=O)o1.
What is the InChIKey of 5-(2-aminoethylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is DBMVMQRHROKWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c9-3-4-13-5-6-1-2-7(12-6)8(10)11/h1-2H,3-5,9H2,(H2,10,11).
What are the key properties of 5-(2-aminoethylsulfanylmethyl)furan-2-carboxamide?
5-(2-aminoethylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 200.26 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 86277902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).