N'-(2-amino-3-methylphenyl)sulfonyl-N,N-dimethylmethanimidamide

C10H15N3O2S — CID 173497553

IUPACN'-(2-amino-3-methylphenyl)sulfonyl-N,N-dimethylmethanimidamide
SMILESCc1cccc(S(=O)(=O)N=CN(C)C)c1N
InChIInChI=1S/C10H15N3O2S/c1-8-5-4-6-9(10(8)11)16(14,15)12-7-13(2)3/h4-7H,11H2,1-3H3
InChIKeyZLZYCJFMHUZLQU-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.86
Rot. Bonds3

About N'-(2-amino-3-methylphenyl)sulfonyl-N,N-dimethylmethanimidamide

N'-(2-amino-3-methylphenyl)sulfonyl-N,N-dimethylmethanimidamide (PubChem CID 173497553) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is N'-(2-amino-3-methylphenyl)sulfonyl-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(2-amino-3-methylphenyl)sulfonyl-N,N-dimethylmethanimidamide
PubChem CID173497553
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC NameN'-(2-amino-3-methylphenyl)sulfonyl-N,N-dimethylmethanimidamide
SMILESCc1cccc(S(=O)(=O)N=CN(C)C)c1N
InChIInChI=1S/C10H15N3O2S/c1-8-5-4-6-9(10(8)11)16(14,15)12-7-13(2)3/h4-7H,11H2,1-3H3
InChIKeyZLZYCJFMHUZLQU-UHFFFAOYSA-N
XLogP0.86
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(dimethylamino)ethylsulfonyl]-6-methylaniline
CID 81189641
2-(2-amino-3-methylphenyl)sulfonylpropanenitrile
CID 81189066
2-(2-tert-butylsulfonylethylsulfonyl)-6-methylaniline
CID 106735771
2-cycloheptylsulfonyl-6-methylaniline
CID 82935936
2-methyl-6-(1-phenylethylsulfonyl)aniline
CID 81187771
2-(3-ethylsulfonylpropylsulfonyl)-6-methylaniline
CID 81189069
N'-(5-tert-butyl-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide
CID 13210300
N'-(2-hydroxy-6-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide
CID 66915973
N,N-dimethyl-N'-[4-methyl-3-(2-phenylethynyl)phenyl]sulfonylmethanimidamide
CID 143260871
N'-(2-bromo-6-ethoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide
CID 155244783
3-[(2-amino-3-methylphenyl)sulfonylmethyl]benzonitrile
CID 81188599
N,N-dimethyl-N'-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfonyl]methanimidamide
CID 67946084

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-3-methylphenyl)sulfonyl-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(2-amino-3-methylphenyl)sulfonyl-N,N-dimethylmethanimidamide (CID 173497553) is N'-(2-amino-3-methylphenyl)sulfonyl-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(2-amino-3-methylphenyl)sulfonyl-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(2-amino-3-methylphenyl)sulfonyl-N,N-dimethylmethanimidamide is Cc1cccc(S(=O)(=O)N=CN(C)C)c1N.
What is the InChIKey of N'-(2-amino-3-methylphenyl)sulfonyl-N,N-dimethylmethanimidamide?
The InChIKey is ZLZYCJFMHUZLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-8-5-4-6-9(10(8)11)16(14,15)12-7-13(2)3/h4-7H,11H2,1-3H3.
What are the key properties of N'-(2-amino-3-methylphenyl)sulfonyl-N,N-dimethylmethanimidamide?
N'-(2-amino-3-methylphenyl)sulfonyl-N,N-dimethylmethanimidamide has a molecular weight of 241.32 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-3-methylphenyl)sulfonyl-N,N-dimethylmethanimidamide is sourced from PubChem (CID 173497553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).