N,N-dimethyl-N'-(2,4,6-trimethylphenyl)sulfonylmethanimidamide

C12H18N2O2S — CID 165176417

IUPACN,N-dimethyl-N'-(2,4,6-trimethylphenyl)sulfonylmethanimidamide
SMILESCc1cc(C)c(S(=O)(=O)N=CN(C)C)c(C)c1
InChIInChI=1S/C12H18N2O2S/c1-9-6-10(2)12(11(3)7-9)17(15,16)13-8-14(4)5/h6-8H,1-5H3
InChIKeyGMNPBQYCCFCMGC-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.89
Rot. Bonds3

About N,N-dimethyl-N'-(2,4,6-trimethylphenyl)sulfonylmethanimidamide

N,N-dimethyl-N'-(2,4,6-trimethylphenyl)sulfonylmethanimidamide (PubChem CID 165176417) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N,N-dimethyl-N'-(2,4,6-trimethylphenyl)sulfonylmethanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(2,4,6-trimethylphenyl)sulfonylmethanimidamide
PubChem CID165176417
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN,N-dimethyl-N'-(2,4,6-trimethylphenyl)sulfonylmethanimidamide
SMILESCc1cc(C)c(S(=O)(=O)N=CN(C)C)c(C)c1
InChIInChI=1S/C12H18N2O2S/c1-9-6-10(2)12(11(3)7-9)17(15,16)13-8-14(4)5/h6-8H,1-5H3
InChIKeyGMNPBQYCCFCMGC-UHFFFAOYSA-N
XLogP1.89
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-N'-(2,4,6-trimethylphenyl)sulfonylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,6-trimethyl-N-(oxomethylidene)benzenesulfonamide
CID 82080794
(NE)-N-[(4-methoxyphenyl)methylidene]-2,4,6-trimethylbenzenesulfonamide
CID 23240619
1,3,5-trimethyl-2-methylsulfonylbenzene
CID 577272
N,N-dimethyl-2-(2,4,6-trimethylphenyl)ethenamine
CID 71411650
N-[bis(methylsulfanyl)methylidene]-2,4,6-trimethylbenzenesulfonamide
CID 11141222
N'-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N,N-dimethylmethanimidamide
CID 2777153
N'-(2-hydroxy-6-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide
CID 66915973
N,N-dimethyl-N'-[3-[(3-methylphenyl)methyl]phenyl]sulfonylmethanimidamide
CID 173274455
N,N-dimethyl-N'-[4-methyl-3-(2-phenylethynyl)phenyl]sulfonylmethanimidamide
CID 143260871
N-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-2,4,6-trimethylbenzenesulfonamide
CID 3555044
N'-(5-bromothiophen-2-yl)sulfonyl-N,N-dimethylmethanimidamide
CID 15599372
N'-[(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonyl]-N,N-dimethylmethanimidamide
CID 54423811

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(2,4,6-trimethylphenyl)sulfonylmethanimidamide?
The IUPAC name of N,N-dimethyl-N'-(2,4,6-trimethylphenyl)sulfonylmethanimidamide (CID 165176417) is N,N-dimethyl-N'-(2,4,6-trimethylphenyl)sulfonylmethanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(2,4,6-trimethylphenyl)sulfonylmethanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(2,4,6-trimethylphenyl)sulfonylmethanimidamide is Cc1cc(C)c(S(=O)(=O)N=CN(C)C)c(C)c1.
What is the InChIKey of N,N-dimethyl-N'-(2,4,6-trimethylphenyl)sulfonylmethanimidamide?
The InChIKey is GMNPBQYCCFCMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-6-10(2)12(11(3)7-9)17(15,16)13-8-14(4)5/h6-8H,1-5H3.
What are the key properties of N,N-dimethyl-N'-(2,4,6-trimethylphenyl)sulfonylmethanimidamide?
N,N-dimethyl-N'-(2,4,6-trimethylphenyl)sulfonylmethanimidamide has a molecular weight of 254.35 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(2,4,6-trimethylphenyl)sulfonylmethanimidamide is sourced from PubChem (CID 165176417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).