5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

C8H9N3O3S2 — CID 62472715

IUPAC5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCS(=O)(=O)Cc1noc(-c2ccc(N)s2)n1
InChIInChI=1S/C8H9N3O3S2/c1-16(12,13)4-7-10-8(14-11-7)5-2-3-6(9)15-5/h2-3H,4,9H2,1H3
InChIKeyGSKFONTYDXLRSW-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.92
Rot. Bonds3

About 5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 62472715) has the molecular formula C8H9N3O3S2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID62472715
Molecular FormulaC8H9N3O3S2
Molecular Weight259.31 g/mol
Exact Mass259.01
IUPAC Name5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCS(=O)(=O)Cc1noc(-c2ccc(N)s2)n1
InChIInChI=1S/C8H9N3O3S2/c1-16(12,13)4-7-10-8(14-11-7)5-2-3-6(9)15-5/h2-3H,4,9H2,1H3
InChIKeyGSKFONTYDXLRSW-UHFFFAOYSA-N
XLogP0.92
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Ethyl-5-thiophen-2-yl-1,2,4-oxadiazole
CID 58089077
3-((4-Fluorophenylsulfonyl)methyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
CID 2822463
2-[(5-Thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline
CID 2741871
3-Fluoro-4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline
CID 43303464
5-Fluoro-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline
CID 43304013
4-Methyl-5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 61392894
5-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 61393009
3-Fluoro-5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline
CID 64283972
5-[3-[(2-Fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 66051861
5-[3-[(2-Fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
CID 66052238
5-[3-[(3-Fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
CID 66069585
5-[3-[(3-Fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 66069781

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 62472715) is 5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is CS(=O)(=O)Cc1noc(-c2ccc(N)s2)n1.
What is the InChIKey of 5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is GSKFONTYDXLRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3S2/c1-16(12,13)4-7-10-8(14-11-7)5-2-3-6(9)15-5/h2-3H,4,9H2,1H3.
What are the key properties of 5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 259.31 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 62472715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).