5-methylsulfonylthiophen-3-amine

C5H7NO2S2 — CID 83482061

IUPAC5-methylsulfonylthiophen-3-amine
SMILESCS(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C5H7NO2S2/c1-10(7,8)5-2-4(6)3-9-5/h2-3H,6H2,1H3
InChIKeyQGVLNIIGMPXRSL-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.73
Rot. Bonds1

About 5-methylsulfonylthiophen-3-amine

5-methylsulfonylthiophen-3-amine (PubChem CID 83482061) has the molecular formula C5H7NO2S2 and a molecular weight of 177.25 g/mol. Its IUPAC name is 5-methylsulfonylthiophen-3-amine.

Molecular Properties

Compound Name5-methylsulfonylthiophen-3-amine
PubChem CID83482061
Molecular FormulaC5H7NO2S2
Molecular Weight177.25 g/mol
Exact Mass176.99
IUPAC Name5-methylsulfonylthiophen-3-amine
SMILESCS(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C5H7NO2S2/c1-10(7,8)5-2-4(6)3-9-5/h2-3H,6H2,1H3
InChIKeyQGVLNIIGMPXRSL-UHFFFAOYSA-N
XLogP0.73
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonylthiophen-3-amine?
The IUPAC name of 5-methylsulfonylthiophen-3-amine (CID 83482061) is 5-methylsulfonylthiophen-3-amine.
What is the SMILES notation for 5-methylsulfonylthiophen-3-amine?
The canonical SMILES for 5-methylsulfonylthiophen-3-amine is CS(=O)(=O)c1cc(N)cs1.
What is the InChIKey of 5-methylsulfonylthiophen-3-amine?
The InChIKey is QGVLNIIGMPXRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S2/c1-10(7,8)5-2-4(6)3-9-5/h2-3H,6H2,1H3.
What are the key properties of 5-methylsulfonylthiophen-3-amine?
5-methylsulfonylthiophen-3-amine has a molecular weight of 177.25 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonylthiophen-3-amine is sourced from PubChem (CID 83482061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).