3-[(6-amino-2,3-dimethylphenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide

C14H23N3O3S — CID 106914039

IUPAC3-[(6-amino-2,3-dimethylphenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)S(=O)(=O)c1c(N)ccc(C)c1C
InChIInChI=1S/C14H23N3O3S/c1-9-6-7-12(15)13(11(9)3)21(19,20)17(5)8-10(2)14(18)16-4/h6-7,10H,8,15H2,1-5H3,(H,16,18)
InChIKeyFKKZFPWGYGWLQU-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.89
Rot. Bonds5

About 3-[(6-amino-2,3-dimethylphenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide

3-[(6-amino-2,3-dimethylphenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide (PubChem CID 106914039) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-[(6-amino-2,3-dimethylphenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(6-amino-2,3-dimethylphenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
PubChem CID106914039
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3-[(6-amino-2,3-dimethylphenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)S(=O)(=O)c1c(N)ccc(C)c1C
InChIInChI=1S/C14H23N3O3S/c1-9-6-7-12(15)13(11(9)3)21(19,20)17(5)8-10(2)14(18)16-4/h6-7,10H,8,15H2,1-5H3,(H,16,18)
InChIKeyFKKZFPWGYGWLQU-UHFFFAOYSA-N
XLogP0.89
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-amino-2-methylphenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106914050
3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106914100
3-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106914097
6-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dimethylbenzenesulfonamide
CID 61476354
6-amino-N-butyl-N,2,3-trimethylbenzenesulfonamide
CID 43258017
3-[[4-(1-hydroxyethyl)phenyl]sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106917610
3-[(2-bromophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 103723773
2-[(6-amino-2,3-dimethylphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103106560
N,2-dimethyl-3-[methyl(methylsulfonyl)amino]propanamide
CID 103723774
6-amino-N-[(2S)-2-hydroxypropyl]-2,3-dimethylbenzenesulfonamide
CID 93081246
2-amino-N-(2-hydroxypropyl)-N,6-dimethylbenzenesulfonamide
CID 62335547
6-amino-N,2,3-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 55258237

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2,3-dimethylphenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[(6-amino-2,3-dimethylphenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide (CID 106914039) is 3-[(6-amino-2,3-dimethylphenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[(6-amino-2,3-dimethylphenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[(6-amino-2,3-dimethylphenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)S(=O)(=O)c1c(N)ccc(C)c1C.
What is the InChIKey of 3-[(6-amino-2,3-dimethylphenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide?
The InChIKey is FKKZFPWGYGWLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-9-6-7-12(15)13(11(9)3)21(19,20)17(5)8-10(2)14(18)16-4/h6-7,10H,8,15H2,1-5H3,(H,16,18).
What are the key properties of 3-[(6-amino-2,3-dimethylphenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide?
3-[(6-amino-2,3-dimethylphenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide has a molecular weight of 313.42 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2,3-dimethylphenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106914039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).