3-methyl-5-(pentylsulfanylmethyl)furan-2-carbohydrazide

C12H20N2O2S — CID 107760942

IUPAC3-methyl-5-(pentylsulfanylmethyl)furan-2-carbohydrazide
SMILESCCCCCSCc1cc(C)c(C(=O)NN)o1
InChIInChI=1S/C12H20N2O2S/c1-3-4-5-6-17-8-10-7-9(2)11(16-10)12(15)14-13/h7H,3-6,8,13H2,1-2H3,(H,14,15)
InChIKeyXUIFPFNSTMLBMF-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.61
Rot. Bonds7

About 3-methyl-5-(pentylsulfanylmethyl)furan-2-carbohydrazide

3-methyl-5-(pentylsulfanylmethyl)furan-2-carbohydrazide (PubChem CID 107760942) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-methyl-5-(pentylsulfanylmethyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name3-methyl-5-(pentylsulfanylmethyl)furan-2-carbohydrazide
PubChem CID107760942
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name3-methyl-5-(pentylsulfanylmethyl)furan-2-carbohydrazide
SMILESCCCCCSCc1cc(C)c(C(=O)NN)o1
InChIInChI=1S/C12H20N2O2S/c1-3-4-5-6-17-8-10-7-9(2)11(16-10)12(15)14-13/h7H,3-6,8,13H2,1-2H3,(H,14,15)
InChIKeyXUIFPFNSTMLBMF-UHFFFAOYSA-N
XLogP2.61
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methylsulfanyl]propanoate
CID 63581586
3-methyl-5-(methylsulfanylmethyl)furan-2-carbohydrazide
CID 63581814
2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methylsulfanyl]-N,N-dimethylacetamide
CID 114234633
5-(2-aminoethylsulfanylmethyl)-N,3-dimethylfuran-2-carboxamide
CID 20570910
3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581971
5-[(6-amino-3-pyridinyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide
CID 63591336
5-(2-ethoxyethoxymethyl)-3-methylfuran-2-carbohydrazide
CID 63588542
3-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-2-carbohydrazide
CID 63580250
5-[(2-methoxyphenyl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide
CID 63581648
5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methylfuran-2-carbohydrazide
CID 63589938
2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methyl-propylamino]-N,N-dimethylacetamide
CID 63577547
5-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 107206516

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(pentylsulfanylmethyl)furan-2-carbohydrazide?
The IUPAC name of 3-methyl-5-(pentylsulfanylmethyl)furan-2-carbohydrazide (CID 107760942) is 3-methyl-5-(pentylsulfanylmethyl)furan-2-carbohydrazide.
What is the SMILES notation for 3-methyl-5-(pentylsulfanylmethyl)furan-2-carbohydrazide?
The canonical SMILES for 3-methyl-5-(pentylsulfanylmethyl)furan-2-carbohydrazide is CCCCCSCc1cc(C)c(C(=O)NN)o1.
What is the InChIKey of 3-methyl-5-(pentylsulfanylmethyl)furan-2-carbohydrazide?
The InChIKey is XUIFPFNSTMLBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-3-4-5-6-17-8-10-7-9(2)11(16-10)12(15)14-13/h7H,3-6,8,13H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-5-(pentylsulfanylmethyl)furan-2-carbohydrazide?
3-methyl-5-(pentylsulfanylmethyl)furan-2-carbohydrazide has a molecular weight of 256.37 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(pentylsulfanylmethyl)furan-2-carbohydrazide is sourced from PubChem (CID 107760942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).