N-[(4-methylphenyl)sulfonylmethyl]methanimine

C9H11NO2S — CID 562852

IUPACN-[(4-methylphenyl)sulfonylmethyl]methanimine
SMILESC=NCS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C9H11NO2S/c1-8-3-5-9(6-4-8)13(11,12)7-10-2/h3-6H,2,7H2,1H3
InChIKeyIWTMRYLZIDOZHL-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.43
Rot. Bonds3

About N-[(4-methylphenyl)sulfonylmethyl]methanimine

N-[(4-methylphenyl)sulfonylmethyl]methanimine (PubChem CID 562852) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is N-[(4-methylphenyl)sulfonylmethyl]methanimine.

Molecular Properties

Compound NameN-[(4-methylphenyl)sulfonylmethyl]methanimine
PubChem CID562852
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC NameN-[(4-methylphenyl)sulfonylmethyl]methanimine
SMILESC=NCS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C9H11NO2S/c1-8-3-5-9(6-4-8)13(11,12)7-10-2/h3-6H,2,7H2,1H3
InChIKeyIWTMRYLZIDOZHL-UHFFFAOYSA-N
XLogP1.43
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diiodomethyl p-tolyl sulfone
CID 62738
Tosylmethyl isocyanide
CID 161915
(2E)-3-(4-methylbenzenesulfonyl)prop-2-enenitrile
CID 5353431
Sulfone, allyl p-tolyl
CID 96276
1-(Ethylsulfonyl)-4-methylbenzene
CID 97651
P-Tolyl vinyl sulfone
CID 79665
p-Tolyl methyl sulfone
CID 18521
Tosylacetonitrile
CID 79776
Methyl 4-methylphenylsulfoxide
CID 136743
1-Chloromethanesulfonyl-4-methylbenzene
CID 562845
Bromomethyl P-tolyl sulfone
CID 232635
Ethynyl p-Tolyl Sulfone
CID 4463273

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)sulfonylmethyl]methanimine?
The IUPAC name of N-[(4-methylphenyl)sulfonylmethyl]methanimine (CID 562852) is N-[(4-methylphenyl)sulfonylmethyl]methanimine.
What is the SMILES notation for N-[(4-methylphenyl)sulfonylmethyl]methanimine?
The canonical SMILES for N-[(4-methylphenyl)sulfonylmethyl]methanimine is C=NCS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(4-methylphenyl)sulfonylmethyl]methanimine?
The InChIKey is IWTMRYLZIDOZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-8-3-5-9(6-4-8)13(11,12)7-10-2/h3-6H,2,7H2,1H3.
What are the key properties of N-[(4-methylphenyl)sulfonylmethyl]methanimine?
N-[(4-methylphenyl)sulfonylmethyl]methanimine has a molecular weight of 197.26 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)sulfonylmethyl]methanimine is sourced from PubChem (CID 562852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).