2-[(4-ethylsulfonylanilino)methyl]thiophen-3-amine

C13H16N2O2S2 — CID 66385944

IUPAC2-[(4-ethylsulfonylanilino)methyl]thiophen-3-amine
SMILESCCS(=O)(=O)c1ccc(NCc2sccc2N)cc1
InChIInChI=1S/C13H16N2O2S2/c1-2-19(16,17)11-5-3-10(4-6-11)15-9-13-12(14)7-8-18-13/h3-8,15H,2,9,14H2,1H3
InChIKeyFIXUEZOQFIEUKT-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.74
Rot. Bonds5

About 2-[(4-ethylsulfonylanilino)methyl]thiophen-3-amine

2-[(4-ethylsulfonylanilino)methyl]thiophen-3-amine (PubChem CID 66385944) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[(4-ethylsulfonylanilino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(4-ethylsulfonylanilino)methyl]thiophen-3-amine
PubChem CID66385944
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name2-[(4-ethylsulfonylanilino)methyl]thiophen-3-amine
SMILESCCS(=O)(=O)c1ccc(NCc2sccc2N)cc1
InChIInChI=1S/C13H16N2O2S2/c1-2-19(16,17)11-5-3-10(4-6-11)15-9-13-12(14)7-8-18-13/h3-8,15H,2,9,14H2,1H3
InChIKeyFIXUEZOQFIEUKT-UHFFFAOYSA-N
XLogP2.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-tert-butylanilino)methyl]thiophen-3-amine
CID 66385089
2-[(4-chloroanilino)methyl]thiophen-3-amine
CID 66386898
2-[(4-butylanilino)methyl]thiophen-3-amine
CID 66387516
ethyl 4-[(3-aminothiophen-2-yl)methylamino]benzoate
CID 66387124
4-[(3-aminothiophen-2-yl)methylamino]benzoic acid
CID 66387122
N-[5-[(3-aminothiophen-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide
CID 66387952
5-[(3-aminothiophen-2-yl)methylamino]-1-propylpyridin-2-one
CID 66386976
N-[4-[(3-aminothiophen-2-yl)methylamino]-2-methylphenyl]acetamide
CID 66386931
4-ethylsulfonyl-N-[(5-iodofuran-2-yl)methyl]aniline
CID 43782384
4-ethylsulfonyl-N-[(5-nitrothiophen-3-yl)methyl]aniline
CID 60811018
2-[(3-chloro-4-nitroanilino)methyl]thiophen-3-amine
CID 82864309
4-ethylsulfonyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 103895801

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylsulfonylanilino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(4-ethylsulfonylanilino)methyl]thiophen-3-amine (CID 66385944) is 2-[(4-ethylsulfonylanilino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(4-ethylsulfonylanilino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(4-ethylsulfonylanilino)methyl]thiophen-3-amine is CCS(=O)(=O)c1ccc(NCc2sccc2N)cc1.
What is the InChIKey of 2-[(4-ethylsulfonylanilino)methyl]thiophen-3-amine?
The InChIKey is FIXUEZOQFIEUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-2-19(16,17)11-5-3-10(4-6-11)15-9-13-12(14)7-8-18-13/h3-8,15H,2,9,14H2,1H3.
What are the key properties of 2-[(4-ethylsulfonylanilino)methyl]thiophen-3-amine?
2-[(4-ethylsulfonylanilino)methyl]thiophen-3-amine has a molecular weight of 296.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylsulfonylanilino)methyl]thiophen-3-amine is sourced from PubChem (CID 66385944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).