N-(2,3-dichloroprop-2-enyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine

C7H9Cl2NO2S — CID 79167277

IUPACN-(2,3-dichloroprop-2-enyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESO=S1(=O)C=CC(NCC(Cl)=CCl)C1
InChIInChI=1S/C7H9Cl2NO2S/c8-3-6(9)4-10-7-1-2-13(11,12)5-7/h1-3,7,10H,4-5H2
InChIKeyVENRUALBTHYUQH-UHFFFAOYSA-N
MW242.13 g/mol
LogP1.21
Rot. Bonds3

About N-(2,3-dichloroprop-2-enyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine

N-(2,3-dichloroprop-2-enyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine (PubChem CID 79167277) has the molecular formula C7H9Cl2NO2S and a molecular weight of 242.13 g/mol. Its IUPAC name is N-(2,3-dichloroprop-2-enyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound NameN-(2,3-dichloroprop-2-enyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
PubChem CID79167277
Molecular FormulaC7H9Cl2NO2S
Molecular Weight242.13 g/mol
Exact Mass240.97
IUPAC NameN-(2,3-dichloroprop-2-enyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESO=S1(=O)C=CC(NCC(Cl)=CCl)C1
InChIInChI=1S/C7H9Cl2NO2S/c8-3-6(9)4-10-7-1-2-13(11,12)5-7/h1-3,7,10H,4-5H2
InChIKeyVENRUALBTHYUQH-UHFFFAOYSA-N
XLogP1.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.13
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-carbamoyl-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide
CID 60694060
2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-ethylacetamide
CID 60694028
2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 60694173
N-(3-methylbut-2-enyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 103605385
N-[(E)-4-chlorobut-2-enyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 81429423
2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(4-methylphenyl)acetamide
CID 60693984
1-(azepan-1-yl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]ethanone
CID 60694047
N-(2-fluoroethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 80693750
N-(2,6-difluorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide
CID 60693705
1-cyclopentyl-3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]propan-2-ol
CID 103157951
3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104644664
N-(3,3-dimethylbutyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 60693769

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloroprop-2-enyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The IUPAC name of N-(2,3-dichloroprop-2-enyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine (CID 79167277) is N-(2,3-dichloroprop-2-enyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for N-(2,3-dichloroprop-2-enyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The canonical SMILES for N-(2,3-dichloroprop-2-enyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is O=S1(=O)C=CC(NCC(Cl)=CCl)C1.
What is the InChIKey of N-(2,3-dichloroprop-2-enyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The InChIKey is VENRUALBTHYUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2NO2S/c8-3-6(9)4-10-7-1-2-13(11,12)5-7/h1-3,7,10H,4-5H2.
What are the key properties of N-(2,3-dichloroprop-2-enyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
N-(2,3-dichloroprop-2-enyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine has a molecular weight of 242.13 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichloroprop-2-enyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 79167277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).