2-amino-N,N-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]benzenesulfonamide

C13H23N3O2S2 — CID 107116637

IUPAC2-amino-N,N-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]benzenesulfonamide
SMILESCSCC(C)N(C)c1cccc(S(=O)(=O)N(C)C)c1N
InChIInChI=1S/C13H23N3O2S2/c1-10(9-19-5)16(4)11-7-6-8-12(13(11)14)20(17,18)15(2)3/h6-8,10H,9,14H2,1-5H3
InChIKeyIIWDECLXUHQVIK-UHFFFAOYSA-N
MW317.48 g/mol
LogP1.71
Rot. Bonds6

About 2-amino-N,N-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]benzenesulfonamide

2-amino-N,N-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]benzenesulfonamide (PubChem CID 107116637) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N,N-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]benzenesulfonamide
PubChem CID107116637
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC Name2-amino-N,N-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]benzenesulfonamide
SMILESCSCC(C)N(C)c1cccc(S(=O)(=O)N(C)C)c1N
InChIInChI=1S/C13H23N3O2S2/c1-10(9-19-5)16(4)11-7-6-8-12(13(11)14)20(17,18)15(2)3/h6-8,10H,9,14H2,1-5H3
InChIKeyIIWDECLXUHQVIK-UHFFFAOYSA-N
XLogP1.71
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[methyl(1-methylsulfanylpropan-2-yl)amino]benzonitrile
CID 104717028
2-[1-bromopropan-2-yl(methyl)amino]-N,N-dimethylbenzenesulfonamide
CID 113426409
2-amino-3-[cyclopropyl(propyl)amino]-N,N-dimethylbenzenesulfonamide
CID 107115768
2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide
CID 107116258
2-amino-3-(3-ethylpentan-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 107116325
2-amino-3-[cyclopropyl(cyclopropylmethyl)amino]-N,N-dimethylbenzenesulfonamide
CID 107116376
1-N-ethyl-3-methylsulfonyl-1-N-propan-2-ylbenzene-1,2-diamine
CID 82003552
1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]ethanol
CID 112661774
2-[2-amino-3-(dimethylsulfamoyl)anilino]propanamide
CID 107115830
1-N-butan-2-yl-3-fluoro-1-N-methylbenzene-1,2-diamine
CID 60788942
3-chloro-1-N-methyl-1-N-(1-methylsulfanylbutan-2-yl)benzene-1,2-diamine
CID 104834825
2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide
CID 107115613

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]benzenesulfonamide?
The IUPAC name of 2-amino-N,N-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]benzenesulfonamide (CID 107116637) is 2-amino-N,N-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-N,N-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 2-amino-N,N-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]benzenesulfonamide is CSCC(C)N(C)c1cccc(S(=O)(=O)N(C)C)c1N.
What is the InChIKey of 2-amino-N,N-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]benzenesulfonamide?
The InChIKey is IIWDECLXUHQVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-10(9-19-5)16(4)11-7-6-8-12(13(11)14)20(17,18)15(2)3/h6-8,10H,9,14H2,1-5H3.
What are the key properties of 2-amino-N,N-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]benzenesulfonamide?
2-amino-N,N-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]benzenesulfonamide has a molecular weight of 317.48 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 107116637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).