N-(1,1-dioxothiolan-3-yl)-N'-ethylbenzohydrazide

C13H18N2O3S — CID 102566727

IUPACN-(1,1-dioxothiolan-3-yl)-N'-ethylbenzohydrazide
SMILESCCNN(C(=O)c1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H18N2O3S/c1-2-14-15(12-8-9-19(17,18)10-12)13(16)11-6-4-3-5-7-11/h3-7,12,14H,2,8-10H2,1H3
InChIKeyIIZSLHSFLYYWTK-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.84
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N'-ethylbenzohydrazide

N-(1,1-dioxothiolan-3-yl)-N'-ethylbenzohydrazide (PubChem CID 102566727) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N'-ethylbenzohydrazide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N'-ethylbenzohydrazide
PubChem CID102566727
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N'-ethylbenzohydrazide
SMILESCCNN(C(=O)c1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H18N2O3S/c1-2-14-15(12-8-9-19(17,18)10-12)13(16)11-6-4-3-5-7-11/h3-7,12,14H,2,8-10H2,1H3
InChIKeyIIZSLHSFLYYWTK-UHFFFAOYSA-N
XLogP0.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7198186
N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylbenzamide
CID 7476902
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-propylbenzamide
CID 47719707
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
4-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylbenzamide
CID 7259739
4-[[[4-(diethylsulfamoyl)benzoyl]-(1,1-dioxothiolan-3-yl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 44724180
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylnaphthalene-2-carboxamide
CID 9245593
N-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7116277
2-benzoyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7173985
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 7388981
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 18573581
N-[(4-chlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7588591

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N'-ethylbenzohydrazide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N'-ethylbenzohydrazide (CID 102566727) is N-(1,1-dioxothiolan-3-yl)-N'-ethylbenzohydrazide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N'-ethylbenzohydrazide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N'-ethylbenzohydrazide is CCNN(C(=O)c1ccccc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N'-ethylbenzohydrazide?
The InChIKey is IIZSLHSFLYYWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-14-15(12-8-9-19(17,18)10-12)13(16)11-6-4-3-5-7-11/h3-7,12,14H,2,8-10H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N'-ethylbenzohydrazide?
N-(1,1-dioxothiolan-3-yl)-N'-ethylbenzohydrazide has a molecular weight of 282.36 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N'-ethylbenzohydrazide is sourced from PubChem (CID 102566727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).