5-(cyclohexylsulfanylmethyl)furan-2-carbohydrazide

C12H18N2O2S — CID 63582723

IUPAC5-(cyclohexylsulfanylmethyl)furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(CSC2CCCCC2)o1
InChIInChI=1S/C12H18N2O2S/c13-14-12(15)11-7-6-9(16-11)8-17-10-4-2-1-3-5-10/h6-7,10H,1-5,8,13H2,(H,14,15)
InChIKeyGJHMFVXRCGCNTG-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.45
Rot. Bonds4

About 5-(cyclohexylsulfanylmethyl)furan-2-carbohydrazide

5-(cyclohexylsulfanylmethyl)furan-2-carbohydrazide (PubChem CID 63582723) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 5-(cyclohexylsulfanylmethyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-(cyclohexylsulfanylmethyl)furan-2-carbohydrazide
PubChem CID63582723
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name5-(cyclohexylsulfanylmethyl)furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(CSC2CCCCC2)o1
InChIInChI=1S/C12H18N2O2S/c13-14-12(15)11-7-6-9(16-11)8-17-10-4-2-1-3-5-10/h6-7,10H,1-5,8,13H2,(H,14,15)
InChIKeyGJHMFVXRCGCNTG-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-(cyclobutyloxymethyl)furan-2-carbohydrazide
CID 63568578
5-(difluoromethylsulfanylmethyl)furan-2-carbohydrazide
CID 43244787
1,4-bis(cyclohexylsulfanylmethyl)benzene
CID 90723558
5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 114792304
5-[(2-aminophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63582387
5-[(2-ethylcyclohexyl)oxymethyl]furan-2-carbohydrazide
CID 63576626
5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 55212131
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-2-carbohydrazide
CID 65322215
5-[(2-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63582719
2-[2-(cyclopentylsulfanylmethyl)phenyl]acetohydrazide
CID 115465739
5-[(3-methylcyclohexyl)oxymethyl]furan-2-carbohydrazide
CID 55213213
5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide
CID 63590097

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylsulfanylmethyl)furan-2-carbohydrazide?
The IUPAC name of 5-(cyclohexylsulfanylmethyl)furan-2-carbohydrazide (CID 63582723) is 5-(cyclohexylsulfanylmethyl)furan-2-carbohydrazide.
What is the SMILES notation for 5-(cyclohexylsulfanylmethyl)furan-2-carbohydrazide?
The canonical SMILES for 5-(cyclohexylsulfanylmethyl)furan-2-carbohydrazide is NNC(=O)c1ccc(CSC2CCCCC2)o1.
What is the InChIKey of 5-(cyclohexylsulfanylmethyl)furan-2-carbohydrazide?
The InChIKey is GJHMFVXRCGCNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c13-14-12(15)11-7-6-9(16-11)8-17-10-4-2-1-3-5-10/h6-7,10H,1-5,8,13H2,(H,14,15).
What are the key properties of 5-(cyclohexylsulfanylmethyl)furan-2-carbohydrazide?
5-(cyclohexylsulfanylmethyl)furan-2-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-2-carbohydrazide is sourced from PubChem (CID 63582723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).