2-(2-methylprop-1-enylsulfonyl)aniline

C10H13NO2S — CID 143253650

IUPAC2-(2-methylprop-1-enylsulfonyl)aniline
SMILESCC(C)=CS(=O)(=O)c1ccccc1N
InChIInChI=1S/C10H13NO2S/c1-8(2)7-14(12,13)10-6-4-3-5-9(10)11/h3-7H,11H2,1-2H3
InChIKeyKNUILVIIIRJRNH-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.97
Rot. Bonds2

About 2-(2-methylprop-1-enylsulfonyl)aniline

2-(2-methylprop-1-enylsulfonyl)aniline (PubChem CID 143253650) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-(2-methylprop-1-enylsulfonyl)aniline.

Molecular Properties

Compound Name2-(2-methylprop-1-enylsulfonyl)aniline
PubChem CID143253650
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name2-(2-methylprop-1-enylsulfonyl)aniline
SMILESCC(C)=CS(=O)(=O)c1ccccc1N
InChIInChI=1S/C10H13NO2S/c1-8(2)7-14(12,13)10-6-4-3-5-9(10)11/h3-7H,11H2,1-2H3
InChIKeyKNUILVIIIRJRNH-UHFFFAOYSA-N
XLogP1.97
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-1-enylsulfonyl)aniline?
The IUPAC name of 2-(2-methylprop-1-enylsulfonyl)aniline (CID 143253650) is 2-(2-methylprop-1-enylsulfonyl)aniline.
What is the SMILES notation for 2-(2-methylprop-1-enylsulfonyl)aniline?
The canonical SMILES for 2-(2-methylprop-1-enylsulfonyl)aniline is CC(C)=CS(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-(2-methylprop-1-enylsulfonyl)aniline?
The InChIKey is KNUILVIIIRJRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-8(2)7-14(12,13)10-6-4-3-5-9(10)11/h3-7H,11H2,1-2H3.
What are the key properties of 2-(2-methylprop-1-enylsulfonyl)aniline?
2-(2-methylprop-1-enylsulfonyl)aniline has a molecular weight of 211.29 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-1-enylsulfonyl)aniline is sourced from PubChem (CID 143253650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).