5,6-difluoro-1,1-dioxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine

C11H13F2NO2S — CID 43539550

IUPAC5,6-difluoro-1,1-dioxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCCNC1CS(=O)(=O)c2cc(F)c(F)cc21
InChIInChI=1S/C11H13F2NO2S/c1-2-3-14-10-6-17(15,16)11-5-9(13)8(12)4-7(10)11/h4-5,10,14H,2-3,6H2,1H3
InChIKeyXXACNGQQEDZXPQ-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.79
Rot. Bonds3

About 5,6-difluoro-1,1-dioxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine

5,6-difluoro-1,1-dioxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 43539550) has the molecular formula C11H13F2NO2S and a molecular weight of 261.29 g/mol. Its IUPAC name is 5,6-difluoro-1,1-dioxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound Name5,6-difluoro-1,1-dioxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID43539550
Molecular FormulaC11H13F2NO2S
Molecular Weight261.29 g/mol
Exact Mass261.06
IUPAC Name5,6-difluoro-1,1-dioxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCCNC1CS(=O)(=O)c2cc(F)c(F)cc21
InChIInChI=1S/C11H13F2NO2S/c1-2-3-14-10-6-17(15,16)11-5-9(13)8(12)4-7(10)11/h4-5,10,14H,2-3,6H2,1H3
InChIKeyXXACNGQQEDZXPQ-UHFFFAOYSA-N
XLogP1.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,6-difluoro-1,1-dioxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine with MolForge

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Related Compounds

8-fluoro-1,1-dioxo-N-propyl-2,3,4,5-tetrahydro-1λ6-benzothiepin-5-amine
CID 102972259
7,8-dimethyl-1,1-dioxo-N-propyl-2,3,4,5-tetrahydro-1λ6-benzothiepin-5-amine
CID 43539215
N-octyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 115567312
5-bromo-N-ethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43539624
6-fluoro-2-methyl-1,1-dioxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539052
N-[2-(2-fluorophenyl)ethyl]-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522927
N-ethyl-5,6-difluoro-1,1-dioxo-2-propyl-2,3-dihydro-1-benzothiophen-3-amine
CID 83049637
N-(2-ethoxyethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43590922
6-methoxy-1,1-dioxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539369
6-bromo-3-methyl-1,1-dioxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539635
1,1-dioxo-N-propyl-2,3,4,5-tetrahydro-1λ6-benzothiepin-5-amine
CID 43538900
N-ethyl-5,6-difluoro-1-oxo-2,3-dihydro-1-benzothiophen-3-amine
CID 82234885

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-1,1-dioxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of 5,6-difluoro-1,1-dioxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine (CID 43539550) is 5,6-difluoro-1,1-dioxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for 5,6-difluoro-1,1-dioxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for 5,6-difluoro-1,1-dioxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine is CCCNC1CS(=O)(=O)c2cc(F)c(F)cc21.
What is the InChIKey of 5,6-difluoro-1,1-dioxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is XXACNGQQEDZXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2S/c1-2-3-14-10-6-17(15,16)11-5-9(13)8(12)4-7(10)11/h4-5,10,14H,2-3,6H2,1H3.
What are the key properties of 5,6-difluoro-1,1-dioxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine?
5,6-difluoro-1,1-dioxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 261.29 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-1,1-dioxo-N-propyl-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 43539550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).