5-methyl-N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide

C14H17N3O4S2 — CID 91528161

IUPAC5-methyl-N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide
SMILESCC1=CN(CC(=O)c2cccs2)C=C(C(=O)N(N)S(C)(=O)=O)C1
InChIInChI=1S/C14H17N3O4S2/c1-10-6-11(14(19)17(15)23(2,20)21)8-16(7-10)9-12(18)13-4-3-5-22-13/h3-5,7-8H,6,9,15H2,1-2H3
InChIKeyVFVXOAABVSOLDN-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.09
Rot. Bonds5

About 5-methyl-N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide

5-methyl-N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide (PubChem CID 91528161) has the molecular formula C14H17N3O4S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 5-methyl-N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide.

Molecular Properties

Compound Name5-methyl-N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide
PubChem CID91528161
Molecular FormulaC14H17N3O4S2
Molecular Weight355.44 g/mol
Exact Mass355.07
IUPAC Name5-methyl-N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide
SMILESCC1=CN(CC(=O)c2cccs2)C=C(C(=O)N(N)S(C)(=O)=O)C1
InChIInChI=1S/C14H17N3O4S2/c1-10-6-11(14(19)17(15)23(2,20)21)8-16(7-10)9-12(18)13-4-3-5-22-13/h3-5,7-8H,6,9,15H2,1-2H3
InChIKeyVFVXOAABVSOLDN-UHFFFAOYSA-N
XLogP1.09
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)piperidine-3-carbohydrazide
CID 91170512
2-methylsulfonyl-1-thiophen-2-ylethanone
CID 4253076
N-(3-cyclohexylpropanoyl)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide
CID 91197707
N-methyl-N-[1-(4-oxo-4-thiophen-2-ylbutanoyl)piperidin-4-yl]methanesulfonamide
CID 51126384
1-thiophen-2-ylpropan-1-one
CID 26179
4,4,4-trifluoro-3-hydroxy-3-methyl-1-thiophen-2-ylbutan-1-one
CID 10922579
2-[(2-oxo-2-thiophen-2-ylethyl)-propan-2-ylamino]acetamide
CID 60679972
1-thiophen-2-ylpentane-1,4-dione
CID 2741853
ethyl 2-(dimethylamino)-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carboxylate
CID 174658256
N-butylthiophene-2-carbohydrazide
CID 54350563
4-[ethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one
CID 43792913
6-(4-methylphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-pyrrolo[3,2-b]pyridin-2-one
CID 161157492

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide?
The IUPAC name of 5-methyl-N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide (CID 91528161) is 5-methyl-N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide.
What is the SMILES notation for 5-methyl-N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide?
The canonical SMILES for 5-methyl-N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide is CC1=CN(CC(=O)c2cccs2)C=C(C(=O)N(N)S(C)(=O)=O)C1.
What is the InChIKey of 5-methyl-N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide?
The InChIKey is VFVXOAABVSOLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S2/c1-10-6-11(14(19)17(15)23(2,20)21)8-16(7-10)9-12(18)13-4-3-5-22-13/h3-5,7-8H,6,9,15H2,1-2H3.
What are the key properties of 5-methyl-N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide?
5-methyl-N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide has a molecular weight of 355.44 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-methylsulfonyl-1-(2-oxo-2-thiophen-2-ylethyl)-4H-pyridine-3-carbohydrazide is sourced from PubChem (CID 91528161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).