1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine

C10H11NO2S — CID 1380383

IUPAC1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine
SMILESO=S1(=O)C=C(Nc2ccccc2)CC1
InChIInChI=1S/C10H11NO2S/c12-14(13)7-6-10(8-14)11-9-4-2-1-3-5-9/h1-5,8,11H,6-7H2
InChIKeyBPLQOQXIOFGNSV-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.76
Rot. Bonds2

About 1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine

1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine (PubChem CID 1380383) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine.

Molecular Properties

Compound Name1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine
PubChem CID1380383
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine
SMILESO=S1(=O)C=C(Nc2ccccc2)CC1
InChIInChI=1S/C10H11NO2S/c12-14(13)7-6-10(8-14)11-9-4-2-1-3-5-9/h1-5,8,11H,6-7H2
InChIKeyBPLQOQXIOFGNSV-UHFFFAOYSA-N
XLogP1.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine?
The IUPAC name of 1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine (CID 1380383) is 1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine.
What is the SMILES notation for 1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine?
The canonical SMILES for 1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine is O=S1(=O)C=C(Nc2ccccc2)CC1.
What is the InChIKey of 1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine?
The InChIKey is BPLQOQXIOFGNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c12-14(13)7-6-10(8-14)11-9-4-2-1-3-5-9/h1-5,8,11H,6-7H2.
What are the key properties of 1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine?
1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine has a molecular weight of 209.27 g/mol, XLogP of 1.76, 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-phenyl-2,3-dihydrothiophen-4-amine is sourced from PubChem (CID 1380383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).