methyl N'-methylsulfonyl-N-(2,4,6-trimethylphenyl)carbamimidate

C12H18N2O3S — CID 14399776

IUPACmethyl N'-methylsulfonyl-N-(2,4,6-trimethylphenyl)carbamimidate
SMILESCO/C(=N\S(C)(=O)=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C12H18N2O3S/c1-8-6-9(2)11(10(3)7-8)13-12(17-4)14-18(5,15)16/h6-7H,1-5H3,(H,13,14)
InChIKeyZZFXVFDNOADZNL-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.99
Rot. Bonds2

About methyl N'-methylsulfonyl-N-(2,4,6-trimethylphenyl)carbamimidate

methyl N'-methylsulfonyl-N-(2,4,6-trimethylphenyl)carbamimidate (PubChem CID 14399776) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is methyl N'-methylsulfonyl-N-(2,4,6-trimethylphenyl)carbamimidate.

Molecular Properties

Compound Namemethyl N'-methylsulfonyl-N-(2,4,6-trimethylphenyl)carbamimidate
PubChem CID14399776
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Namemethyl N'-methylsulfonyl-N-(2,4,6-trimethylphenyl)carbamimidate
SMILESCO/C(=N\S(C)(=O)=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C12H18N2O3S/c1-8-6-9(2)11(10(3)7-8)13-12(17-4)14-18(5,15)16/h6-7H,1-5H3,(H,13,14)
InChIKeyZZFXVFDNOADZNL-UHFFFAOYSA-N
XLogP1.99
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dimethylphenyl)-2-methylsulfonyl-3-(2,4,6-trimethylphenyl)guanidine
CID 46379222
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
(2,4,6-trimethylphenyl)thiourea
CID 2731118
N-(2,6-dimethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512317
2-[methyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 30464677
1,3-bis(2,4,6-trimethylphenyl)thiourea
CID 2307469
(E)-N,N'-bis(2,4,6-trimethylphenyl)but-2-enediamide
CID 1091194
N-(4-hydroxy-2-methylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108509461
1-N,1-N',2-N,2-N'-tetrakis(2,4,6-trimethylphenyl)ethanediimidamide
CID 5246161
3,5-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 918543
2-(4-methylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 51174673

Frequently Asked Questions

What is the IUPAC name of methyl N'-methylsulfonyl-N-(2,4,6-trimethylphenyl)carbamimidate?
The IUPAC name of methyl N'-methylsulfonyl-N-(2,4,6-trimethylphenyl)carbamimidate (CID 14399776) is methyl N'-methylsulfonyl-N-(2,4,6-trimethylphenyl)carbamimidate.
What is the SMILES notation for methyl N'-methylsulfonyl-N-(2,4,6-trimethylphenyl)carbamimidate?
The canonical SMILES for methyl N'-methylsulfonyl-N-(2,4,6-trimethylphenyl)carbamimidate is CO/C(=N\S(C)(=O)=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of methyl N'-methylsulfonyl-N-(2,4,6-trimethylphenyl)carbamimidate?
The InChIKey is ZZFXVFDNOADZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8-6-9(2)11(10(3)7-8)13-12(17-4)14-18(5,15)16/h6-7H,1-5H3,(H,13,14).
What are the key properties of methyl N'-methylsulfonyl-N-(2,4,6-trimethylphenyl)carbamimidate?
methyl N'-methylsulfonyl-N-(2,4,6-trimethylphenyl)carbamimidate has a molecular weight of 270.35 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-methylsulfonyl-N-(2,4,6-trimethylphenyl)carbamimidate is sourced from PubChem (CID 14399776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).