2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide

C15H17FN2O3S2 — CID 8868997

IUPAC2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide
SMILESO=C(C[C@@H]1CCS(=O)(=O)C1)NN=C1CCSc2ccc(F)cc21
InChIInChI=1S/C15H17FN2O3S2/c16-11-1-2-14-12(8-11)13(3-5-22-14)17-18-15(19)7-10-4-6-23(20,21)9-10/h1-2,8,10H,3-7,9H2,(H,18,19)/t10-/m0/s1
InChIKeyARSGEPIDVUNYHQ-JTQLQIEISA-N
MW356.44 g/mol
LogP1.97
Rot. Bonds3

About 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide

2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide (PubChem CID 8868997) has the molecular formula C15H17FN2O3S2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide.

Molecular Properties

Compound Name2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide
PubChem CID8868997
Molecular FormulaC15H17FN2O3S2
Molecular Weight356.44 g/mol
Exact Mass356.07
IUPAC Name2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide
SMILESO=C(C[C@@H]1CCS(=O)(=O)C1)NN=C1CCSc2ccc(F)cc21
InChIInChI=1S/C15H17FN2O3S2/c16-11-1-2-14-12(8-11)13(3-5-22-14)17-18-15(19)7-10-4-6-23(20,21)9-10/h1-2,8,10H,3-7,9H2,(H,18,19)/t10-/m0/s1
InChIKeyARSGEPIDVUNYHQ-JTQLQIEISA-N
XLogP1.97
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 8866526
N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methoxyanilino)acetamide
CID 4541197
N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4856859
2-(2-cyanophenoxy)-N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide
CID 9467470
N-(2,4-difluorophenyl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 9209582
N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4845594
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
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide
CID 8939667
3-chloro-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-6-fluoro-1-benzothiophene-2-carbohydrazide
CID 8938864
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 8868499
2-[(3S)-1,1-dioxothiolan-3-yl]-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
CID 8938962
N-[(Z)-1-(2,4-dichloro-5-fluorophenyl)ethylideneamino]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 8868131

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide?
The IUPAC name of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide (CID 8868997) is 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide.
What is the SMILES notation for 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide?
The canonical SMILES for 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide is O=C(C[C@@H]1CCS(=O)(=O)C1)NN=C1CCSc2ccc(F)cc21.
What is the InChIKey of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide?
The InChIKey is ARSGEPIDVUNYHQ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17FN2O3S2/c16-11-1-2-14-12(8-11)13(3-5-22-14)17-18-15(19)7-10-4-6-23(20,21)9-10/h1-2,8,10H,3-7,9H2,(H,18,19)/t10-/m0/s1.
What are the key properties of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide?
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide has a molecular weight of 356.44 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide is sourced from PubChem (CID 8868997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).