2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methylsulfanyl]-N,N-dimethylacetamide

C11H17N3O3S — CID 114234633

IUPAC2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methylsulfanyl]-N,N-dimethylacetamide
SMILESCc1cc(CSCC(=O)N(C)C)oc1C(=O)NN
InChIInChI=1S/C11H17N3O3S/c1-7-4-8(17-10(7)11(16)13-12)5-18-6-9(15)14(2)3/h4H,5-6,12H2,1-3H3,(H,13,16)
InChIKeyAQECCTHIJJJMLL-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.51
Rot. Bonds5

About 2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methylsulfanyl]-N,N-dimethylacetamide

2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methylsulfanyl]-N,N-dimethylacetamide (PubChem CID 114234633) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methylsulfanyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methylsulfanyl]-N,N-dimethylacetamide
PubChem CID114234633
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methylsulfanyl]-N,N-dimethylacetamide
SMILESCc1cc(CSCC(=O)N(C)C)oc1C(=O)NN
InChIInChI=1S/C11H17N3O3S/c1-7-4-8(17-10(7)11(16)13-12)5-18-6-9(15)14(2)3/h4H,5-6,12H2,1-3H3,(H,13,16)
InChIKeyAQECCTHIJJJMLL-UHFFFAOYSA-N
XLogP0.51
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.51
H-Bond Donors ≤ 52
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 2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methylsulfanyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methylsulfanyl]-N,N-dimethylacetamide (CID 114234633) is 2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methylsulfanyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methylsulfanyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methylsulfanyl]-N,N-dimethylacetamide is Cc1cc(CSCC(=O)N(C)C)oc1C(=O)NN.
What is the InChIKey of 2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methylsulfanyl]-N,N-dimethylacetamide?
The InChIKey is AQECCTHIJJJMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-7-4-8(17-10(7)11(16)13-12)5-18-6-9(15)14(2)3/h4H,5-6,12H2,1-3H3,(H,13,16).
What are the key properties of 2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methylsulfanyl]-N,N-dimethylacetamide?
2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methylsulfanyl]-N,N-dimethylacetamide has a molecular weight of 271.34 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methylsulfanyl]-N,N-dimethylacetamide is sourced from PubChem (CID 114234633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).