1,1-dioxo-N-(2-thiophen-3-ylethyl)-3,4-dihydro-2H-thiochromen-4-amine

C15H17NO2S2 — CID 61474858

IUPAC1,1-dioxo-N-(2-thiophen-3-ylethyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESO=S1(=O)CCC(NCCc2ccsc2)c2ccccc21
InChIInChI=1S/C15H17NO2S2/c17-20(18)10-7-14(13-3-1-2-4-15(13)20)16-8-5-12-6-9-19-11-12/h1-4,6,9,11,14,16H,5,7-8,10H2
InChIKeyMUHAEOBTOWETGV-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.80
Rot. Bonds4

About 1,1-dioxo-N-(2-thiophen-3-ylethyl)-3,4-dihydro-2H-thiochromen-4-amine

1,1-dioxo-N-(2-thiophen-3-ylethyl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 61474858) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1,1-dioxo-N-(2-thiophen-3-ylethyl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name1,1-dioxo-N-(2-thiophen-3-ylethyl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID61474858
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC Name1,1-dioxo-N-(2-thiophen-3-ylethyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESO=S1(=O)CCC(NCCc2ccsc2)c2ccccc21
InChIInChI=1S/C15H17NO2S2/c17-20(18)10-7-14(13-3-1-2-4-15(13)20)16-8-5-12-6-9-19-11-12/h1-4,6,9,11,14,16H,5,7-8,10H2
InChIKeyMUHAEOBTOWETGV-UHFFFAOYSA-N
XLogP2.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.80
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-(2-thiophen-3-ylethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 1,1-dioxo-N-(2-thiophen-3-ylethyl)-3,4-dihydro-2H-thiochromen-4-amine (CID 61474858) is 1,1-dioxo-N-(2-thiophen-3-ylethyl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 1,1-dioxo-N-(2-thiophen-3-ylethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 1,1-dioxo-N-(2-thiophen-3-ylethyl)-3,4-dihydro-2H-thiochromen-4-amine is O=S1(=O)CCC(NCCc2ccsc2)c2ccccc21.
What is the InChIKey of 1,1-dioxo-N-(2-thiophen-3-ylethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is MUHAEOBTOWETGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S2/c17-20(18)10-7-14(13-3-1-2-4-15(13)20)16-8-5-12-6-9-19-11-12/h1-4,6,9,11,14,16H,5,7-8,10H2.
What are the key properties of 1,1-dioxo-N-(2-thiophen-3-ylethyl)-3,4-dihydro-2H-thiochromen-4-amine?
1,1-dioxo-N-(2-thiophen-3-ylethyl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 307.44 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(2-thiophen-3-ylethyl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 61474858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).