N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide

C15H18N2O3S — CID 8866526

IUPACN-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(C[C@@H]1CCS(=O)(=O)C1)N/N=C1/CCc2ccccc21
InChIInChI=1S/C15H18N2O3S/c18-15(9-11-7-8-21(19,20)10-11)17-16-14-6-5-12-3-1-2-4-13(12)14/h1-4,11H,5-10H2,(H,17,18)/b16-14-/t11-/m0/s1
InChIKeyGICJXZICOZYDIK-NLPIWRNCSA-N
MW306.39 g/mol
LogP1.28
Rot. Bonds3

About N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide

N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 8866526) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID8866526
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(C[C@@H]1CCS(=O)(=O)C1)N/N=C1/CCc2ccccc21
InChIInChI=1S/C15H18N2O3S/c18-15(9-11-7-8-21(19,20)10-11)17-16-14-6-5-12-3-1-2-4-13(12)14/h1-4,11H,5-10H2,(H,17,18)/b16-14-/t11-/m0/s1
InChIKeyGICJXZICOZYDIK-NLPIWRNCSA-N
XLogP1.28
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide
CID 8868997
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(Z)-1-phenylethylideneamino]acetamide
CID 8865960
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(E)-[(3R)-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-ylidene]amino]acetamide
CID 135776816
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 8866343
N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 6085414
N-benzhydryl-2-(1,1-dioxothiolan-3-yl)acetamide
CID 17408993
N-[(2-bromo-3-phenylprop-2-enylidene)amino]-2-(1,1-dioxothiolan-3-yl)acetamide
CID 84858367
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]acetamide
CID 135776803
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]acetamide
CID 135776802
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 8866124
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 8866772
N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-4-phenylbenzohydrazide
CID 42888277

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide (CID 8866526) is N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide is O=C(C[C@@H]1CCS(=O)(=O)C1)N/N=C1/CCc2ccccc21.
What is the InChIKey of N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is GICJXZICOZYDIK-NLPIWRNCSA-N. The full InChI is InChI=1S/C15H18N2O3S/c18-15(9-11-7-8-21(19,20)10-11)17-16-14-6-5-12-3-1-2-4-13(12)14/h1-4,11H,5-10H2,(H,17,18)/b16-14-/t11-/m0/s1.
What are the key properties of N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 306.39 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 8866526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).