1,1-dioxo-N-(2,4,6-trichlorophenyl)thiolan-3-amine

C10H10Cl3NO2S — CID 43126505

IUPAC1,1-dioxo-N-(2,4,6-trichlorophenyl)thiolan-3-amine
SMILESO=S1(=O)CCC(Nc2c(Cl)cc(Cl)cc2Cl)C1
InChIInChI=1S/C10H10Cl3NO2S/c11-6-3-8(12)10(9(13)4-6)14-7-1-2-17(15,16)5-7/h3-4,7,14H,1-2,5H2
InChIKeyVDYSEHYWAYIWPY-UHFFFAOYSA-N
MW314.62 g/mol
LogP3.25
Rot. Bonds2

About 1,1-dioxo-N-(2,4,6-trichlorophenyl)thiolan-3-amine

1,1-dioxo-N-(2,4,6-trichlorophenyl)thiolan-3-amine (PubChem CID 43126505) has the molecular formula C10H10Cl3NO2S and a molecular weight of 314.62 g/mol. Its IUPAC name is 1,1-dioxo-N-(2,4,6-trichlorophenyl)thiolan-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-(2,4,6-trichlorophenyl)thiolan-3-amine
PubChem CID43126505
Molecular FormulaC10H10Cl3NO2S
Molecular Weight314.62 g/mol
Exact Mass312.95
IUPAC Name1,1-dioxo-N-(2,4,6-trichlorophenyl)thiolan-3-amine
SMILESO=S1(=O)CCC(Nc2c(Cl)cc(Cl)cc2Cl)C1
InChIInChI=1S/C10H10Cl3NO2S/c11-6-3-8(12)10(9(13)4-6)14-7-1-2-17(15,16)5-7/h3-4,7,14H,1-2,5H2
InChIKeyVDYSEHYWAYIWPY-UHFFFAOYSA-N
XLogP3.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.62
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1-dioxo-N-(2,4,6-trichlorophenyl)thiolan-3-amine 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

6-chloro-N-(1,1-dioxothiolan-3-yl)-8-methylquinolin-5-amine
CID 63162713
4-chloro-1-N-(1,1-dioxothiolan-3-yl)benzene-1,2-diamine
CID 43115448
N-(2-bromo-5-chlorophenyl)-1,1-dioxothiolan-3-amine
CID 81263687
N-(4-chloro-2-iodophenyl)-1,1-dioxothiolan-3-amine
CID 107632504
2,4,6-trichloro-N-cyclobutylaniline
CID 63425611
2,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7090741
5-bromo-3-chloro-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
CID 103579980
2,4-dichloro-N-(1,1-dioxothiolan-3-yl)benzamide
CID 3126628
2-chloro-4-[(1,1-dioxothiolan-3-yl)amino]benzonitrile
CID 43348079
2-chloro-4-N-(1,1-dioxothiolan-3-yl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 54867399
N-(2-bromo-4,6-difluorophenyl)-1,1-dioxothiolan-3-amine
CID 43347704
N-(3-chloro-2-fluorophenyl)-1,1-dioxothiolan-3-amine
CID 43123013

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(2,4,6-trichlorophenyl)thiolan-3-amine?
The IUPAC name of 1,1-dioxo-N-(2,4,6-trichlorophenyl)thiolan-3-amine (CID 43126505) is 1,1-dioxo-N-(2,4,6-trichlorophenyl)thiolan-3-amine.
What is the SMILES notation for 1,1-dioxo-N-(2,4,6-trichlorophenyl)thiolan-3-amine?
The canonical SMILES for 1,1-dioxo-N-(2,4,6-trichlorophenyl)thiolan-3-amine is O=S1(=O)CCC(Nc2c(Cl)cc(Cl)cc2Cl)C1.
What is the InChIKey of 1,1-dioxo-N-(2,4,6-trichlorophenyl)thiolan-3-amine?
The InChIKey is VDYSEHYWAYIWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3NO2S/c11-6-3-8(12)10(9(13)4-6)14-7-1-2-17(15,16)5-7/h3-4,7,14H,1-2,5H2.
What are the key properties of 1,1-dioxo-N-(2,4,6-trichlorophenyl)thiolan-3-amine?
1,1-dioxo-N-(2,4,6-trichlorophenyl)thiolan-3-amine has a molecular weight of 314.62 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(2,4,6-trichlorophenyl)thiolan-3-amine is sourced from PubChem (CID 43126505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).