N-ethyl-N-methyl-N'-(4-methylphenyl)sulfonylmethanimidamide

C11H16N2O2S — CID 146170089

IUPACN-ethyl-N-methyl-N'-(4-methylphenyl)sulfonylmethanimidamide
SMILESCCN(C)/C=N/S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H16N2O2S/c1-4-13(3)9-12-16(14,15)11-7-5-10(2)6-8-11/h5-9H,4H2,1-3H3/b12-9+
InChIKeyYTYAKURBQDQAKH-FMIVXFBMSA-N
MW240.33 g/mol
LogP1.66
Rot. Bonds4

About N-ethyl-N-methyl-N'-(4-methylphenyl)sulfonylmethanimidamide

N-ethyl-N-methyl-N'-(4-methylphenyl)sulfonylmethanimidamide (PubChem CID 146170089) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-ethyl-N-methyl-N'-(4-methylphenyl)sulfonylmethanimidamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-N'-(4-methylphenyl)sulfonylmethanimidamide
PubChem CID146170089
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-ethyl-N-methyl-N'-(4-methylphenyl)sulfonylmethanimidamide
SMILESCCN(C)/C=N/S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H16N2O2S/c1-4-13(3)9-12-16(14,15)11-7-5-10(2)6-8-11/h5-9H,4H2,1-3H3/b12-9+
InChIKeyYTYAKURBQDQAKH-FMIVXFBMSA-N
XLogP1.66
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.66
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'}

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Related Compounds

N,N-bis(2-hydroxyethyl)-N'-(4-methylphenyl)sulfonylmethanimidamide
CID 42637465
(NE)-4-methyl-N-pentylidenebenzenesulfonamide
CID 10911631
(NZ)-4-methyl-N-pentylidenebenzenesulfonamide
CID 134996221
(NE)-N-[(E)-but-2-enylidene]-4-methylbenzenesulfonamide
CID 177419048
(NE)-N-[2-[4-(dimethylamino)phenyl]ethylidene]-4-methylbenzenesulfonamide
CID 11313119
ethyl (2E)-2-(4-methylphenyl)sulfonyliminoacetate
CID 10923109
(NE)-N-(2-ethoxypropylidene)-4-methylbenzenesulfonamide
CID 23599394
4-methyl-N-[(2,4,6-trimethylphenyl)methylidene]benzenesulfonamide
CID 86015739
N-ethyl-N-(4-methoxyphenyl)-N'-(4-methoxyphenyl)sulfonylmethanimidamide
CID 42637600
N-ethyl-N-methylethanamine;4-methylbenzenesulfonic acid
CID 71445382
N,N-dimethyl-N'-[3-[(3-methylphenyl)methyl]phenyl]sulfonylmethanimidamide
CID 173274455
4-methyl-N-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butylidene]benzenesulfonamide
CID 152780195

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-N'-(4-methylphenyl)sulfonylmethanimidamide?
The IUPAC name of N-ethyl-N-methyl-N'-(4-methylphenyl)sulfonylmethanimidamide (CID 146170089) is N-ethyl-N-methyl-N'-(4-methylphenyl)sulfonylmethanimidamide.
What is the SMILES notation for N-ethyl-N-methyl-N'-(4-methylphenyl)sulfonylmethanimidamide?
The canonical SMILES for N-ethyl-N-methyl-N'-(4-methylphenyl)sulfonylmethanimidamide is CCN(C)/C=N/S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-N-methyl-N'-(4-methylphenyl)sulfonylmethanimidamide?
The InChIKey is YTYAKURBQDQAKH-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-4-13(3)9-12-16(14,15)11-7-5-10(2)6-8-11/h5-9H,4H2,1-3H3/b12-9+.
What are the key properties of N-ethyl-N-methyl-N'-(4-methylphenyl)sulfonylmethanimidamide?
N-ethyl-N-methyl-N'-(4-methylphenyl)sulfonylmethanimidamide has a molecular weight of 240.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-N'-(4-methylphenyl)sulfonylmethanimidamide is sourced from PubChem (CID 146170089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).