5-(2-aminobutylsulfanylmethyl)furan-3-carbohydrazide

C10H17N3O2S — CID 66231207

IUPAC5-(2-aminobutylsulfanylmethyl)furan-3-carbohydrazide
SMILESCCC(N)CSCc1cc(C(=O)NN)co1
InChIInChI=1S/C10H17N3O2S/c1-2-8(11)5-16-6-9-3-7(4-15-9)10(14)13-12/h3-4,8H,2,5-6,11-12H2,1H3,(H,13,14)
InChIKeyFEVUZSOYFJTKQD-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.85
Rot. Bonds6

About 5-(2-aminobutylsulfanylmethyl)furan-3-carbohydrazide

5-(2-aminobutylsulfanylmethyl)furan-3-carbohydrazide (PubChem CID 66231207) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 5-(2-aminobutylsulfanylmethyl)furan-3-carbohydrazide.

Molecular Properties

Compound Name5-(2-aminobutylsulfanylmethyl)furan-3-carbohydrazide
PubChem CID66231207
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name5-(2-aminobutylsulfanylmethyl)furan-3-carbohydrazide
SMILESCCC(N)CSCc1cc(C(=O)NN)co1
InChIInChI=1S/C10H17N3O2S/c1-2-8(11)5-16-6-9-3-7(4-15-9)10(14)13-12/h3-4,8H,2,5-6,11-12H2,1H3,(H,13,14)
InChIKeyFEVUZSOYFJTKQD-UHFFFAOYSA-N
XLogP0.85
TPSA94.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminobutylsulfanylmethyl)furan-3-carbohydrazide?
The IUPAC name of 5-(2-aminobutylsulfanylmethyl)furan-3-carbohydrazide (CID 66231207) is 5-(2-aminobutylsulfanylmethyl)furan-3-carbohydrazide.
What is the SMILES notation for 5-(2-aminobutylsulfanylmethyl)furan-3-carbohydrazide?
The canonical SMILES for 5-(2-aminobutylsulfanylmethyl)furan-3-carbohydrazide is CCC(N)CSCc1cc(C(=O)NN)co1.
What is the InChIKey of 5-(2-aminobutylsulfanylmethyl)furan-3-carbohydrazide?
The InChIKey is FEVUZSOYFJTKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-2-8(11)5-16-6-9-3-7(4-15-9)10(14)13-12/h3-4,8H,2,5-6,11-12H2,1H3,(H,13,14).
What are the key properties of 5-(2-aminobutylsulfanylmethyl)furan-3-carbohydrazide?
5-(2-aminobutylsulfanylmethyl)furan-3-carbohydrazide has a molecular weight of 243.33 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminobutylsulfanylmethyl)furan-3-carbohydrazide is sourced from PubChem (CID 66231207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).