5-methylsulfonyl-2-(1,3-oxazol-2-ylsulfanyl)aniline

C10H10N2O3S2 — CID 106921324

IUPAC5-methylsulfonyl-2-(1,3-oxazol-2-ylsulfanyl)aniline
SMILESCS(=O)(=O)c1ccc(Sc2ncco2)c(N)c1
InChIInChI=1S/C10H10N2O3S2/c1-17(13,14)7-2-3-9(8(11)6-7)16-10-12-4-5-15-10/h2-6H,11H2,1H3
InChIKeyKGUOZRKNWAKXKY-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.81
Rot. Bonds3

About 5-methylsulfonyl-2-(1,3-oxazol-2-ylsulfanyl)aniline

5-methylsulfonyl-2-(1,3-oxazol-2-ylsulfanyl)aniline (PubChem CID 106921324) has the molecular formula C10H10N2O3S2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-methylsulfonyl-2-(1,3-oxazol-2-ylsulfanyl)aniline.

Molecular Properties

Compound Name5-methylsulfonyl-2-(1,3-oxazol-2-ylsulfanyl)aniline
PubChem CID106921324
Molecular FormulaC10H10N2O3S2
Molecular Weight270.33 g/mol
Exact Mass270.01
IUPAC Name5-methylsulfonyl-2-(1,3-oxazol-2-ylsulfanyl)aniline
SMILESCS(=O)(=O)c1ccc(Sc2ncco2)c(N)c1
InChIInChI=1S/C10H10N2O3S2/c1-17(13,14)7-2-3-9(8(11)6-7)16-10-12-4-5-15-10/h2-6H,11H2,1H3
InChIKeyKGUOZRKNWAKXKY-UHFFFAOYSA-N
XLogP1.81
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-2-(1,3-oxazol-2-ylsulfanyl)aniline?
The IUPAC name of 5-methylsulfonyl-2-(1,3-oxazol-2-ylsulfanyl)aniline (CID 106921324) is 5-methylsulfonyl-2-(1,3-oxazol-2-ylsulfanyl)aniline.
What is the SMILES notation for 5-methylsulfonyl-2-(1,3-oxazol-2-ylsulfanyl)aniline?
The canonical SMILES for 5-methylsulfonyl-2-(1,3-oxazol-2-ylsulfanyl)aniline is CS(=O)(=O)c1ccc(Sc2ncco2)c(N)c1.
What is the InChIKey of 5-methylsulfonyl-2-(1,3-oxazol-2-ylsulfanyl)aniline?
The InChIKey is KGUOZRKNWAKXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S2/c1-17(13,14)7-2-3-9(8(11)6-7)16-10-12-4-5-15-10/h2-6H,11H2,1H3.
What are the key properties of 5-methylsulfonyl-2-(1,3-oxazol-2-ylsulfanyl)aniline?
5-methylsulfonyl-2-(1,3-oxazol-2-ylsulfanyl)aniline has a molecular weight of 270.33 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-2-(1,3-oxazol-2-ylsulfanyl)aniline is sourced from PubChem (CID 106921324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).