N'-ethenyl-N-methoxy-N-methyl-1-methylsulfonylmethanimidamide

C6H12N2O3S — CID 137491230

IUPACN'-ethenyl-N-methoxy-N-methyl-1-methylsulfonylmethanimidamide
SMILESC=C/N=C(\N(C)OC)S(C)(=O)=O
InChIInChI=1S/C6H12N2O3S/c1-5-7-6(8(2)11-3)12(4,9)10/h5H,1H2,2-4H3/b7-6+
InChIKeyNEPSMWXOXABZRW-VOTSOKGWSA-N
MW192.24 g/mol
LogP0.02
Rot. Bonds2

About N'-ethenyl-N-methoxy-N-methyl-1-methylsulfonylmethanimidamide

N'-ethenyl-N-methoxy-N-methyl-1-methylsulfonylmethanimidamide (PubChem CID 137491230) has the molecular formula C6H12N2O3S and a molecular weight of 192.24 g/mol. Its IUPAC name is N'-ethenyl-N-methoxy-N-methyl-1-methylsulfonylmethanimidamide.

Molecular Properties

Compound NameN'-ethenyl-N-methoxy-N-methyl-1-methylsulfonylmethanimidamide
PubChem CID137491230
Molecular FormulaC6H12N2O3S
Molecular Weight192.24 g/mol
Exact Mass192.06
IUPAC NameN'-ethenyl-N-methoxy-N-methyl-1-methylsulfonylmethanimidamide
SMILESC=C/N=C(\N(C)OC)S(C)(=O)=O
InChIInChI=1S/C6H12N2O3S/c1-5-7-6(8(2)11-3)12(4,9)10/h5H,1H2,2-4H3/b7-6+
InChIKeyNEPSMWXOXABZRW-VOTSOKGWSA-N
XLogP0.02
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-ethenyl-N,N-dimethylprop-2-enimidamide
CID 143598460
1,3-dimethoxy-1,3-dimethylurea
CID 11159391
(Z)-N-ethenyl-2,2-dimethylhex-4-en-3-imine
CID 129035901
N'-ethenyl-N,N-dimethyl-1-methylsulfinylmethanimidamide
CID 154967162
2-(ethenylamino)-N-methoxy-N-methylacetamide
CID 134970802
N-methyl-N-(methyl-methylidene-oxo-lambda6-sulfanyl)methanamine
CID 13349447
N'-ethenyl-N-methyl-N-[(2S)-5-oxopentan-2-yl]prop-2-enimidamide
CID 176715255
(3R)-3-hydroxy-N-methoxy-N-methylpent-4-enamide
CID 25259472
methanesulfonic acid;N-methyl-N-prop-2-enylprop-2-en-1-amine
CID 89483061
(Z)-2-[methoxy(methyl)amino]but-2-enamide
CID 155059176
N'-ethenyl-N-methoxyethanimidamide
CID 91299645
N'-ethenyl-N,N,2-trimethylpropanimidamide
CID 142276539

Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-N-methoxy-N-methyl-1-methylsulfonylmethanimidamide?
The IUPAC name of N'-ethenyl-N-methoxy-N-methyl-1-methylsulfonylmethanimidamide (CID 137491230) is N'-ethenyl-N-methoxy-N-methyl-1-methylsulfonylmethanimidamide.
What is the SMILES notation for N'-ethenyl-N-methoxy-N-methyl-1-methylsulfonylmethanimidamide?
The canonical SMILES for N'-ethenyl-N-methoxy-N-methyl-1-methylsulfonylmethanimidamide is C=C/N=C(\N(C)OC)S(C)(=O)=O.
What is the InChIKey of N'-ethenyl-N-methoxy-N-methyl-1-methylsulfonylmethanimidamide?
The InChIKey is NEPSMWXOXABZRW-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H12N2O3S/c1-5-7-6(8(2)11-3)12(4,9)10/h5H,1H2,2-4H3/b7-6+.
What are the key properties of N'-ethenyl-N-methoxy-N-methyl-1-methylsulfonylmethanimidamide?
N'-ethenyl-N-methoxy-N-methyl-1-methylsulfonylmethanimidamide has a molecular weight of 192.24 g/mol, XLogP of 0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-methoxy-N-methyl-1-methylsulfonylmethanimidamide is sourced from PubChem (CID 137491230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).