1,1-dioxo-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine

C13H13NO2S2 — CID 66351028

IUPAC1,1-dioxo-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine
SMILESO=S1(=O)CCC(Nc2ccsc2)c2ccccc21
InChIInChI=1S/C13H13NO2S2/c15-18(16)8-6-12(14-10-5-7-17-9-10)11-3-1-2-4-13(11)18/h1-5,7,9,12,14H,6,8H2
InChIKeyJDYMJZYNORAVKU-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.08
Rot. Bonds2

About 1,1-dioxo-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine

1,1-dioxo-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 66351028) has the molecular formula C13H13NO2S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 1,1-dioxo-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name1,1-dioxo-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID66351028
Molecular FormulaC13H13NO2S2
Molecular Weight279.39 g/mol
Exact Mass279.04
IUPAC Name1,1-dioxo-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine
SMILESO=S1(=O)CCC(Nc2ccsc2)c2ccccc21
InChIInChI=1S/C13H13NO2S2/c15-18(16)8-6-12(14-10-5-7-17-9-10)11-3-1-2-4-13(11)18/h1-5,7,9,12,14H,6,8H2
InChIKeyJDYMJZYNORAVKU-UHFFFAOYSA-N
XLogP3.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 1,1-dioxo-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine (CID 66351028) is 1,1-dioxo-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 1,1-dioxo-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 1,1-dioxo-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine is O=S1(=O)CCC(Nc2ccsc2)c2ccccc21.
What is the InChIKey of 1,1-dioxo-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is JDYMJZYNORAVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S2/c15-18(16)8-6-12(14-10-5-7-17-9-10)11-3-1-2-4-13(11)18/h1-5,7,9,12,14H,6,8H2.
What are the key properties of 1,1-dioxo-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine?
1,1-dioxo-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 279.39 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 66351028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).