3-amino-2,4,6-trimethyl-N-prop-2-enylbenzenesulfonamide

C12H18N2O2S — CID 113469282

IUPAC3-amino-2,4,6-trimethyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1c(C)cc(C)c(N)c1C
InChIInChI=1S/C12H18N2O2S/c1-5-6-14-17(15,16)12-9(3)7-8(2)11(13)10(12)4/h5,7,14H,1,6,13H2,2-4H3
InChIKeyCBQGVWKXFCYANU-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.66
Rot. Bonds4

About 3-amino-2,4,6-trimethyl-N-prop-2-enylbenzenesulfonamide

3-amino-2,4,6-trimethyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 113469282) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-amino-2,4,6-trimethyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,4,6-trimethyl-N-prop-2-enylbenzenesulfonamide
PubChem CID113469282
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name3-amino-2,4,6-trimethyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1c(C)cc(C)c(N)c1C
InChIInChI=1S/C12H18N2O2S/c1-5-6-14-17(15,16)12-9(3)7-8(2)11(13)10(12)4/h5,7,14H,1,6,13H2,2-4H3
InChIKeyCBQGVWKXFCYANU-UHFFFAOYSA-N
XLogP1.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.66
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

3-amino-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 107325687
3-amino-2,4,6-trimethyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333290
2-amino-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 61112895
4-bromo-2,5-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 25252496
2,4-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 19681800
5-methoxy-2,4-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 27261539
3-amino-2,4,6-trimethyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114386974
4-amino-2,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide
CID 106425511
2,4,6-trichloro-N-prop-2-enylbenzenesulfonamide
CID 61060580
3,5-dimethyl-4-(prop-2-enylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 81423499
5-amino-2,4-difluoro-N-prop-2-enylbenzenesulfonamide
CID 61112133
3-amino-4-fluoro-N-[(2R)-2-hydroxypropyl]-2,6-dimethylbenzenesulfonamide
CID 107326349

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4,6-trimethyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 3-amino-2,4,6-trimethyl-N-prop-2-enylbenzenesulfonamide (CID 113469282) is 3-amino-2,4,6-trimethyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 3-amino-2,4,6-trimethyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 3-amino-2,4,6-trimethyl-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1c(C)cc(C)c(N)c1C.
What is the InChIKey of 3-amino-2,4,6-trimethyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is CBQGVWKXFCYANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-5-6-14-17(15,16)12-9(3)7-8(2)11(13)10(12)4/h5,7,14H,1,6,13H2,2-4H3.
What are the key properties of 3-amino-2,4,6-trimethyl-N-prop-2-enylbenzenesulfonamide?
3-amino-2,4,6-trimethyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4,6-trimethyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 113469282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).