5-(cyclohexylsulfanylmethyl)furan-3-carbohydrazide

C12H18N2O2S — CID 55215056

IUPAC5-(cyclohexylsulfanylmethyl)furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CSC2CCCCC2)c1
InChIInChI=1S/C12H18N2O2S/c13-14-12(15)9-6-10(16-7-9)8-17-11-4-2-1-3-5-11/h6-7,11H,1-5,8,13H2,(H,14,15)
InChIKeyNZZUAWHZNFFYCZ-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.45
Rot. Bonds4

About 5-(cyclohexylsulfanylmethyl)furan-3-carbohydrazide

5-(cyclohexylsulfanylmethyl)furan-3-carbohydrazide (PubChem CID 55215056) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 5-(cyclohexylsulfanylmethyl)furan-3-carbohydrazide.

Molecular Properties

Compound Name5-(cyclohexylsulfanylmethyl)furan-3-carbohydrazide
PubChem CID55215056
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name5-(cyclohexylsulfanylmethyl)furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CSC2CCCCC2)c1
InChIInChI=1S/C12H18N2O2S/c13-14-12(15)9-6-10(16-7-9)8-17-11-4-2-1-3-5-11/h6-7,11H,1-5,8,13H2,(H,14,15)
InChIKeyNZZUAWHZNFFYCZ-UHFFFAOYSA-N
XLogP2.45
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

5-(cyclohexylsulfanylmethyl)furan-2-carbohydrazide
CID 63582723
5-(2-hydroxyethylsulfanylmethyl)furan-3-carbohydrazide
CID 63580672
5-[(3-methylcyclohexyl)sulfanylmethyl]furan-3-carboxylic acid
CID 62720436
5-[(2-ethylcyclohexyl)oxymethyl]furan-3-carbohydrazide
CID 55214949
5-[(2-methylpyrrolidin-1-yl)methyl]furan-3-carbohydrazide
CID 63570944
5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63580476
5-[(2-hydroxyphenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63589044
5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
CID 63584588
5-(2-aminobutylsulfanylmethyl)furan-3-carbohydrazide
CID 66231207
5-(naphthalen-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581398
5-[(3-hydroxyphenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 104591174
5-[(4-methoxyphenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63580433

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylsulfanylmethyl)furan-3-carbohydrazide?
The IUPAC name of 5-(cyclohexylsulfanylmethyl)furan-3-carbohydrazide (CID 55215056) is 5-(cyclohexylsulfanylmethyl)furan-3-carbohydrazide.
What is the SMILES notation for 5-(cyclohexylsulfanylmethyl)furan-3-carbohydrazide?
The canonical SMILES for 5-(cyclohexylsulfanylmethyl)furan-3-carbohydrazide is NNC(=O)c1coc(CSC2CCCCC2)c1.
What is the InChIKey of 5-(cyclohexylsulfanylmethyl)furan-3-carbohydrazide?
The InChIKey is NZZUAWHZNFFYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c13-14-12(15)9-6-10(16-7-9)8-17-11-4-2-1-3-5-11/h6-7,11H,1-5,8,13H2,(H,14,15).
What are the key properties of 5-(cyclohexylsulfanylmethyl)furan-3-carbohydrazide?
5-(cyclohexylsulfanylmethyl)furan-3-carbohydrazide has a molecular weight of 254.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylsulfanylmethyl)furan-3-carbohydrazide is sourced from PubChem (CID 55215056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).