4-hydrazinyl-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide

C13H19N3O3S — CID 63211713

IUPAC4-hydrazinyl-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
SMILESCc1cc(C(=O)NC2(C)CCS(=O)(=O)C2)ccc1NN
InChIInChI=1S/C13H19N3O3S/c1-9-7-10(3-4-11(9)16-14)12(17)15-13(2)5-6-20(18,19)8-13/h3-4,7,16H,5-6,8,14H2,1-2H3,(H,15,17)
InChIKeyYCPHMLUOCULPJC-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.59
Rot. Bonds3

About 4-hydrazinyl-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide

4-hydrazinyl-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide (PubChem CID 63211713) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-hydrazinyl-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide.

Molecular Properties

Compound Name4-hydrazinyl-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
PubChem CID63211713
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name4-hydrazinyl-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
SMILESCc1cc(C(=O)NC2(C)CCS(=O)(=O)C2)ccc1NN
InChIInChI=1S/C13H19N3O3S/c1-9-7-10(3-4-11(9)16-14)12(17)15-13(2)5-6-20(18,19)8-13/h3-4,7,16H,5-6,8,14H2,1-2H3,(H,15,17)
InChIKeyYCPHMLUOCULPJC-UHFFFAOYSA-N
XLogP0.59
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 103951728
4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716553
3-N-(3-methyl-1,1-dioxothiolan-3-yl)benzene-1,3-dicarboxamide
CID 43057320
3-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60718307
N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998184
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-4-methylsulfanylbenzamide
CID 30415077
2-hydroxy-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716599
1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide
CID 2362502
N-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712167
4-(cyclopropylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-nitrobenzamide
CID 51146157
2-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716580
3-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-nitrobenzamide
CID 62681284

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide?
The IUPAC name of 4-hydrazinyl-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide (CID 63211713) is 4-hydrazinyl-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide.
What is the SMILES notation for 4-hydrazinyl-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide?
The canonical SMILES for 4-hydrazinyl-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide is Cc1cc(C(=O)NC2(C)CCS(=O)(=O)C2)ccc1NN.
What is the InChIKey of 4-hydrazinyl-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide?
The InChIKey is YCPHMLUOCULPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9-7-10(3-4-11(9)16-14)12(17)15-13(2)5-6-20(18,19)8-13/h3-4,7,16H,5-6,8,14H2,1-2H3,(H,15,17).
What are the key properties of 4-hydrazinyl-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide?
4-hydrazinyl-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide has a molecular weight of 297.38 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide is sourced from PubChem (CID 63211713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).