3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonylthiophene-2-carbonitrile

C9H11F2N3O2S2 — CID 103505786

IUPAC3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonylthiophene-2-carbonitrile
SMILESCCS(=O)(=O)c1c(NCC(F)F)sc(C#N)c1N
InChIInChI=1S/C9H11F2N3O2S2/c1-2-18(15,16)8-7(13)5(3-12)17-9(8)14-4-6(10)11/h6,14H,2,4,13H2,1H3
InChIKeyFNFUGFDZRZYBEH-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.67
Rot. Bonds5

About 3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonylthiophene-2-carbonitrile

3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonylthiophene-2-carbonitrile (PubChem CID 103505786) has the molecular formula C9H11F2N3O2S2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonylthiophene-2-carbonitrile
PubChem CID103505786
Molecular FormulaC9H11F2N3O2S2
Molecular Weight295.34 g/mol
Exact Mass295.03
IUPAC Name3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonylthiophene-2-carbonitrile
SMILESCCS(=O)(=O)c1c(NCC(F)F)sc(C#N)c1N
InChIInChI=1S/C9H11F2N3O2S2/c1-2-18(15,16)8-7(13)5(3-12)17-9(8)14-4-6(10)11/h6,14H,2,4,13H2,1H3
InChIKeyFNFUGFDZRZYBEH-UHFFFAOYSA-N
XLogP1.67
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonylthiophene-2-carbonitrile (CID 103505786) is 3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonylthiophene-2-carbonitrile is CCS(=O)(=O)c1c(NCC(F)F)sc(C#N)c1N.
What is the InChIKey of 3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonylthiophene-2-carbonitrile?
The InChIKey is FNFUGFDZRZYBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O2S2/c1-2-18(15,16)8-7(13)5(3-12)17-9(8)14-4-6(10)11/h6,14H,2,4,13H2,1H3.
What are the key properties of 3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonylthiophene-2-carbonitrile?
3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonylthiophene-2-carbonitrile has a molecular weight of 295.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonylthiophene-2-carbonitrile is sourced from PubChem (CID 103505786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).