5-(butan-2-ylsulfanylmethyl)-2-methylfuran-3-carbohydrazide

C11H18N2O2S — CID 63580274

IUPAC5-(butan-2-ylsulfanylmethyl)-2-methylfuran-3-carbohydrazide
SMILESCCC(C)SCc1cc(C(=O)NN)c(C)o1
InChIInChI=1S/C11H18N2O2S/c1-4-7(2)16-6-9-5-10(8(3)15-9)11(14)13-12/h5,7H,4,6,12H2,1-3H3,(H,13,14)
InChIKeyKAMBIAOTFSUKKC-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.22
Rot. Bonds5

About 5-(butan-2-ylsulfanylmethyl)-2-methylfuran-3-carbohydrazide

5-(butan-2-ylsulfanylmethyl)-2-methylfuran-3-carbohydrazide (PubChem CID 63580274) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 5-(butan-2-ylsulfanylmethyl)-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound Name5-(butan-2-ylsulfanylmethyl)-2-methylfuran-3-carbohydrazide
PubChem CID63580274
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name5-(butan-2-ylsulfanylmethyl)-2-methylfuran-3-carbohydrazide
SMILESCCC(C)SCc1cc(C(=O)NN)c(C)o1
InChIInChI=1S/C11H18N2O2S/c1-4-7(2)16-6-9-5-10(8(3)15-9)11(14)13-12/h5,7H,4,6,12H2,1-3H3,(H,13,14)
InChIKeyKAMBIAOTFSUKKC-UHFFFAOYSA-N
XLogP2.22
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.22
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-(4-aminobutan-2-ylsulfanylmethyl)-2-methylfuran-3-carboxylic acid
CID 66225112
5-[(4-hydroxyphenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
CID 63581074
5-[(2-amino-5-bromophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
CID 79533674
5-[(4-amino-3-fluorophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
CID 79141754
2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-carbohydrazide
CID 63572711
5-[(3-aminopyrazin-2-yl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
CID 106679449
2-methyl-5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581314
2-methyl-5-(pyridin-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63582837
2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 104604223
5-(3-hydroxybutan-2-ylsulfanylmethyl)-2-methylfuran-3-carboxylic acid
CID 107770104
3-[[4-(hydrazinecarbonyl)-5-methylfuran-2-yl]methyl-methylamino]-N,2-dimethylpropanamide
CID 106918303
5-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 80582970

Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-ylsulfanylmethyl)-2-methylfuran-3-carbohydrazide?
The IUPAC name of 5-(butan-2-ylsulfanylmethyl)-2-methylfuran-3-carbohydrazide (CID 63580274) is 5-(butan-2-ylsulfanylmethyl)-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for 5-(butan-2-ylsulfanylmethyl)-2-methylfuran-3-carbohydrazide?
The canonical SMILES for 5-(butan-2-ylsulfanylmethyl)-2-methylfuran-3-carbohydrazide is CCC(C)SCc1cc(C(=O)NN)c(C)o1.
What is the InChIKey of 5-(butan-2-ylsulfanylmethyl)-2-methylfuran-3-carbohydrazide?
The InChIKey is KAMBIAOTFSUKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-7(2)16-6-9-5-10(8(3)15-9)11(14)13-12/h5,7H,4,6,12H2,1-3H3,(H,13,14).
What are the key properties of 5-(butan-2-ylsulfanylmethyl)-2-methylfuran-3-carbohydrazide?
5-(butan-2-ylsulfanylmethyl)-2-methylfuran-3-carbohydrazide has a molecular weight of 242.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butan-2-ylsulfanylmethyl)-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 63580274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).