2-amino-6-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide

C11H16N2O2S — CID 114615118

IUPAC2-amino-6-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CNS(=O)(=O)c1c(C)cccc1N
InChIInChI=1S/C11H16N2O2S/c1-8(2)7-13-16(14,15)11-9(3)5-4-6-10(11)12/h4-6,13H,1,7,12H2,2-3H3
InChIKeyZOIUYVVLMWIKGN-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.43
Rot. Bonds4

About 2-amino-6-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide

2-amino-6-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide (PubChem CID 114615118) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-amino-6-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
PubChem CID114615118
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-amino-6-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CNS(=O)(=O)c1c(C)cccc1N
InChIInChI=1S/C11H16N2O2S/c1-8(2)7-13-16(14,15)11-9(3)5-4-6-10(11)12/h4-6,13H,1,7,12H2,2-3H3
InChIKeyZOIUYVVLMWIKGN-UHFFFAOYSA-N
XLogP1.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylacetamide
CID 43452561
2-amino-6-methyl-N-propylbenzenesulfonamide
CID 43452324
2-amino-N-(6-hydroxyhexyl)-6-methylbenzenesulfonamide
CID 107843459
2-amino-6-methyl-N-prop-2-ynylbenzenesulfonamide
CID 61112321
2-amino-N-(2,3-dihydroxy-2-methylpropyl)-6-methylbenzenesulfonamide
CID 66168995
2-amino-N-hexyl-6-methylbenzenesulfonamide
CID 61110838
3-amino-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615116
3-[(2-amino-6-methylphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 61125157
2-amino-N-[(4-ethylphenyl)methyl]-6-methylbenzenesulfonamide
CID 106899187
2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-6-methylbenzenesulfonamide
CID 63294178
4-fluoro-2,6-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 107326601
2-amino-N',N',6-trimethylbenzenesulfonohydrazide
CID 83013451

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The IUPAC name of 2-amino-6-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide (CID 114615118) is 2-amino-6-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-6-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The canonical SMILES for 2-amino-6-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide is C=C(C)CNS(=O)(=O)c1c(C)cccc1N.
What is the InChIKey of 2-amino-6-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The InChIKey is ZOIUYVVLMWIKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8(2)7-13-16(14,15)11-9(3)5-4-6-10(11)12/h4-6,13H,1,7,12H2,2-3H3.
What are the key properties of 2-amino-6-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
2-amino-6-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide has a molecular weight of 240.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 114615118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).