N-methyl-N-(methylsulfonimidoyl)-1-phenylmethanamine

C9H14N2OS — CID 148954390

IUPACN-methyl-N-(methylsulfonimidoyl)-1-phenylmethanamine
SMILES[H]N=S(C)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C9H14N2OS/c1-11(13(2,10)12)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKeyPQOHJSYVLGPYIQ-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.71
Rot. Bonds3

About N-methyl-N-(methylsulfonimidoyl)-1-phenylmethanamine

N-methyl-N-(methylsulfonimidoyl)-1-phenylmethanamine (PubChem CID 148954390) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is N-methyl-N-(methylsulfonimidoyl)-1-phenylmethanamine.

Molecular Properties

Compound NameN-methyl-N-(methylsulfonimidoyl)-1-phenylmethanamine
PubChem CID148954390
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC NameN-methyl-N-(methylsulfonimidoyl)-1-phenylmethanamine
SMILES[H]N=S(C)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C9H14N2OS/c1-11(13(2,10)12)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKeyPQOHJSYVLGPYIQ-UHFFFAOYSA-N
XLogP1.71
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-N-methyl-N-(methylsulfonimidoyl)methanamine
CID 118673841
N-benzyl-N-methyl-1-methylsulfanylethanesulfonamide
CID 129166946
[methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene
CID 62659313
2-[benzyl-[benzyl(methyl)sulfamoyl]amino]acetic acid
CID 54326605
N-benzyl-1-[benzyl(methyl)amino]sulfanyl-N-methylmethanesulfonamide
CID 139397005
N-benzyl-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464576
3-[benzyl(methyl)sulfamoyl]-2-methylpropanoic acid
CID 18522094
N-[(4-hydroxyphenyl)methyl]-N-methylmethanesulfonamide
CID 61044122
[2-(ethylamino)ethylsulfamoyl-methylamino]methylbenzene
CID 62664041
N-benzyl-3-ethyl-N-methylbenzenesulfonamide
CID 90124269
2-[[benzyl(methyl)sulfamoyl]-methylamino]propan-1-ol
CID 112548547
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(methylsulfonimidoyl)-1-phenylmethanamine?
The IUPAC name of N-methyl-N-(methylsulfonimidoyl)-1-phenylmethanamine (CID 148954390) is N-methyl-N-(methylsulfonimidoyl)-1-phenylmethanamine.
What is the SMILES notation for N-methyl-N-(methylsulfonimidoyl)-1-phenylmethanamine?
The canonical SMILES for N-methyl-N-(methylsulfonimidoyl)-1-phenylmethanamine is [H]N=S(C)(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-methyl-N-(methylsulfonimidoyl)-1-phenylmethanamine?
The InChIKey is PQOHJSYVLGPYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-11(13(2,10)12)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3.
What are the key properties of N-methyl-N-(methylsulfonimidoyl)-1-phenylmethanamine?
N-methyl-N-(methylsulfonimidoyl)-1-phenylmethanamine has a molecular weight of 198.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(methylsulfonimidoyl)-1-phenylmethanamine is sourced from PubChem (CID 148954390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).