5-amino-2,3-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide

C12H20N2O2S2 — CID 63982651

IUPAC5-amino-2,3-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
SMILESCSCCCNS(=O)(=O)c1cc(N)cc(C)c1C
InChIInChI=1S/C12H20N2O2S2/c1-9-7-11(13)8-12(10(9)2)18(15,16)14-5-4-6-17-3/h7-8,14H,4-6,13H2,1-3H3
InChIKeyMGYSDONFTBWGSR-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.92
Rot. Bonds6

About 5-amino-2,3-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide

5-amino-2,3-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide (PubChem CID 63982651) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 5-amino-2,3-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,3-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
PubChem CID63982651
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name5-amino-2,3-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
SMILESCSCCCNS(=O)(=O)c1cc(N)cc(C)c1C
InChIInChI=1S/C12H20N2O2S2/c1-9-7-11(13)8-12(10(9)2)18(15,16)14-5-4-6-17-3/h7-8,14H,4-6,13H2,1-3H3
InChIKeyMGYSDONFTBWGSR-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

4-amino-2,6-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 79589376
5-amino-N-(4-hydroxypentyl)-2,3-dimethylbenzenesulfonamide
CID 106119263
5-amino-N-(3-ethoxypropyl)-2,3-dimethylbenzenesulfonamide
CID 28519081
3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]propanamide
CID 43553101
3-amino-5-fluoro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63982222
5-amino-N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzenesulfonamide
CID 28993569
5-amino-2,3-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034183
5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide
CID 43498713
3-amino-2,4-difluoro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 107343575
4-amino-2,6-dichloro-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63981794
2-amino-4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63981145
5-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dimethylbenzenesulfonamide
CID 106164632

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide?
The IUPAC name of 5-amino-2,3-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide (CID 63982651) is 5-amino-2,3-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2,3-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2,3-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide is CSCCCNS(=O)(=O)c1cc(N)cc(C)c1C.
What is the InChIKey of 5-amino-2,3-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide?
The InChIKey is MGYSDONFTBWGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-9-7-11(13)8-12(10(9)2)18(15,16)14-5-4-6-17-3/h7-8,14H,4-6,13H2,1-3H3.
What are the key properties of 5-amino-2,3-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide?
5-amino-2,3-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 5-amino-2,3-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide is sourced from PubChem (CID 63982651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).