4-amino-2,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide

C13H20N2O2S2 — CID 106425511

IUPAC4-amino-2,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide
SMILESC=CCSCCNS(=O)(=O)c1c(C)cc(N)cc1C
InChIInChI=1S/C13H20N2O2S2/c1-4-6-18-7-5-15-19(16,17)13-10(2)8-12(14)9-11(13)3/h4,8-9,15H,1,5-7,14H2,2-3H3
InChIKeyKYLVMJYIESCONJ-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.08
Rot. Bonds7

About 4-amino-2,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide

4-amino-2,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide (PubChem CID 106425511) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 4-amino-2,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide
PubChem CID106425511
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC Name4-amino-2,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide
SMILESC=CCSCCNS(=O)(=O)c1c(C)cc(N)cc1C
InChIInChI=1S/C13H20N2O2S2/c1-4-6-18-7-5-15-19(16,17)13-10(2)8-12(14)9-11(13)3/h4,8-9,15H,1,5-7,14H2,2-3H3
InChIKeyKYLVMJYIESCONJ-UHFFFAOYSA-N
XLogP2.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4,5-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide
CID 106425500
4-amino-2,6-dimethyl-N-propylbenzenesulfonamide
CID 79588837
4-amino-2,6-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 79589376
2,5-dibromo-4-methyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide
CID 114188227
4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79588681
3-amino-2,5-diethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide
CID 106425499
5-amino-N-(2-prop-2-enylsulfanylethyl)-1H-indole-3-sulfonamide
CID 106425405
4-chloro-2-methyl-5-nitro-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide
CID 103816251
4-amino-3-nitro-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide
CID 106430175
2-iodo-5-(2-prop-2-enylsulfanylethylsulfamoyl)benzoic acid
CID 106426755
3-amino-4-(2-prop-2-enylsulfanylethylsulfamoyl)benzoic acid
CID 106425421
4-amino-2,6-dimethyl-N-(5-methylhexyl)benzenesulfonamide
CID 115324523

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide (CID 106425511) is 4-amino-2,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide is C=CCSCCNS(=O)(=O)c1c(C)cc(N)cc1C.
What is the InChIKey of 4-amino-2,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide?
The InChIKey is KYLVMJYIESCONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-4-6-18-7-5-15-19(16,17)13-10(2)8-12(14)9-11(13)3/h4,8-9,15H,1,5-7,14H2,2-3H3.
What are the key properties of 4-amino-2,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide?
4-amino-2,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide has a molecular weight of 300.45 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide is sourced from PubChem (CID 106425511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).