N-(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)-2-thiophen-3-ylacetamide

C12H19N3O2S — CID 2819869

IUPACN-(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)-2-thiophen-3-ylacetamide
SMILESCC(C)CC(NC(=O)Cc1ccsc1)C(=O)NN
InChIInChI=1S/C12H19N3O2S/c1-8(2)5-10(12(17)15-13)14-11(16)6-9-3-4-18-7-9/h3-4,7-8,10H,5-6,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyKVHPZMHCWJFGMI-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.81
Rot. Bonds6

About N-(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)-2-thiophen-3-ylacetamide

N-(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)-2-thiophen-3-ylacetamide (PubChem CID 2819869) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)-2-thiophen-3-ylacetamide
PubChem CID2819869
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)-2-thiophen-3-ylacetamide
SMILESCC(C)CC(NC(=O)Cc1ccsc1)C(=O)NN
InChIInChI=1S/C12H19N3O2S/c1-8(2)5-10(12(17)15-13)14-11(16)6-9-3-4-18-7-9/h3-4,7-8,10H,5-6,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyKVHPZMHCWJFGMI-UHFFFAOYSA-N
XLogP0.81
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.81
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N-(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)-2-thiophen-3-ylacetamide (CID 2819869) is N-(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)-2-thiophen-3-ylacetamide is CC(C)CC(NC(=O)Cc1ccsc1)C(=O)NN.
What is the InChIKey of N-(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)-2-thiophen-3-ylacetamide?
The InChIKey is KVHPZMHCWJFGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-8(2)5-10(12(17)15-13)14-11(16)6-9-3-4-18-7-9/h3-4,7-8,10H,5-6,13H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)-2-thiophen-3-ylacetamide?
N-(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)-2-thiophen-3-ylacetamide has a molecular weight of 269.37 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 2819869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).