4-amino-2,6-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide

C12H20N2O2S2 — CID 79589376

IUPAC4-amino-2,6-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
SMILESCSCCCNS(=O)(=O)c1c(C)cc(N)cc1C
InChIInChI=1S/C12H20N2O2S2/c1-9-7-11(13)8-10(2)12(9)18(15,16)14-5-4-6-17-3/h7-8,14H,4-6,13H2,1-3H3
InChIKeyTZKMOYCNIVHHKN-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.92
Rot. Bonds6

About 4-amino-2,6-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide

4-amino-2,6-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide (PubChem CID 79589376) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-amino-2,6-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
PubChem CID79589376
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name4-amino-2,6-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
SMILESCSCCCNS(=O)(=O)c1c(C)cc(N)cc1C
InChIInChI=1S/C12H20N2O2S2/c1-9-7-11(13)8-10(2)12(9)18(15,16)14-5-4-6-17-3/h7-8,14H,4-6,13H2,1-3H3
InChIKeyTZKMOYCNIVHHKN-UHFFFAOYSA-N
XLogP1.92
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.92
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'}

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Related Compounds

5-amino-2,3-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63982651
4-amino-2,6-dimethyl-N-propylbenzenesulfonamide
CID 79588837
4-amino-2,6-dichloro-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63981794
4-amino-2,6-dimethyl-N-(5-methylhexyl)benzenesulfonamide
CID 115324523
4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79588681
4-amino-2,6-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82950627
3-amino-5-fluoro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63982222
2-amino-4,6-dibromo-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63983511
4-amino-2,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide
CID 106425511
4-bromo-2,6-dichloro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63961201
3-(aminomethyl)-4-methyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 114141448
4-amino-2,6-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzenesulfonamide
CID 79570806

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide (CID 79589376) is 4-amino-2,6-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide is CSCCCNS(=O)(=O)c1c(C)cc(N)cc1C.
What is the InChIKey of 4-amino-2,6-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide?
The InChIKey is TZKMOYCNIVHHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-9-7-11(13)8-10(2)12(9)18(15,16)14-5-4-6-17-3/h7-8,14H,4-6,13H2,1-3H3.
What are the key properties of 4-amino-2,6-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide?
4-amino-2,6-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide has a molecular weight of 288.44 g/mol, XLogP of 1.92, 6 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-(3-methylsulfanylpropyl)benzenesulfonamide is sourced from PubChem (CID 79589376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).