1-(4-methoxyphenyl)-N-methyl-N-(methylsulfonimidoyl)methanamine

C10H16N2O2S — CID 118673841

IUPAC1-(4-methoxyphenyl)-N-methyl-N-(methylsulfonimidoyl)methanamine
SMILES[H]N=S(C)(=O)N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C10H16N2O2S/c1-12(15(3,11)13)8-9-4-6-10(14-2)7-5-9/h4-7,11H,8H2,1-3H3
InChIKeySEWYEEJUSZTLBD-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.72
Rot. Bonds4

About 1-(4-methoxyphenyl)-N-methyl-N-(methylsulfonimidoyl)methanamine

1-(4-methoxyphenyl)-N-methyl-N-(methylsulfonimidoyl)methanamine (PubChem CID 118673841) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-methyl-N-(methylsulfonimidoyl)methanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-methyl-N-(methylsulfonimidoyl)methanamine
PubChem CID118673841
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-(4-methoxyphenyl)-N-methyl-N-(methylsulfonimidoyl)methanamine
SMILES[H]N=S(C)(=O)N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C10H16N2O2S/c1-12(15(3,11)13)8-9-4-6-10(14-2)7-5-9/h4-7,11H,8H2,1-3H3
InChIKeySEWYEEJUSZTLBD-UHFFFAOYSA-N
XLogP1.72
TPSA53.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(methylsulfonimidoyl)-1-phenylmethanamine
CID 148954390
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548
3-amino-N-[(4-methoxyphenyl)methyl]-N-methylpropane-1-sulfonamide
CID 61418218
N-[(4-methoxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 43398042
2-amino-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 61108978
4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzoic acid
CID 100553172
3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 61072196
2-[(4-methoxyphenyl)methyl-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate
CID 86656093
6-amino-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 62158613
5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 61418235
methyl 4-[[(4-methoxyphenyl)methyl-methylsulfamoyl]methyl]benzoate
CID 46770861
N-[4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 6462480

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-methyl-N-(methylsulfonimidoyl)methanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-methyl-N-(methylsulfonimidoyl)methanamine (CID 118673841) is 1-(4-methoxyphenyl)-N-methyl-N-(methylsulfonimidoyl)methanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-methyl-N-(methylsulfonimidoyl)methanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-methyl-N-(methylsulfonimidoyl)methanamine is [H]N=S(C)(=O)N(C)Cc1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-methyl-N-(methylsulfonimidoyl)methanamine?
The InChIKey is SEWYEEJUSZTLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-12(15(3,11)13)8-9-4-6-10(14-2)7-5-9/h4-7,11H,8H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N-methyl-N-(methylsulfonimidoyl)methanamine?
1-(4-methoxyphenyl)-N-methyl-N-(methylsulfonimidoyl)methanamine has a molecular weight of 228.32 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-methyl-N-(methylsulfonimidoyl)methanamine is sourced from PubChem (CID 118673841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).