N-[3-(propan-2-yliminomethyl)phenyl]methanesulfonamide

C11H16N2O2S — CID 166654172

IUPACN-[3-(propan-2-yliminomethyl)phenyl]methanesulfonamide
SMILESCC(C)/N=C/c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C11H16N2O2S/c1-9(2)12-8-10-5-4-6-11(7-10)13-16(3,14)15/h4-9,13H,1-3H3/b12-8+
InChIKeyDPWFVGZJGLFFAK-XYOKQWHBSA-N
MW240.33 g/mol
LogP1.89
Rot. Bonds4

About N-[3-(propan-2-yliminomethyl)phenyl]methanesulfonamide

N-[3-(propan-2-yliminomethyl)phenyl]methanesulfonamide (PubChem CID 166654172) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-[3-(propan-2-yliminomethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(propan-2-yliminomethyl)phenyl]methanesulfonamide
PubChem CID166654172
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-[3-(propan-2-yliminomethyl)phenyl]methanesulfonamide
SMILESCC(C)/N=C/c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C11H16N2O2S/c1-9(2)12-8-10-5-4-6-11(7-10)13-16(3,14)15/h4-9,13H,1-3H3/b12-8+
InChIKeyDPWFVGZJGLFFAK-XYOKQWHBSA-N
XLogP1.89
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(propan-2-yliminomethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(propan-2-yliminomethyl)phenyl]methanesulfonamide (CID 166654172) is N-[3-(propan-2-yliminomethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(propan-2-yliminomethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(propan-2-yliminomethyl)phenyl]methanesulfonamide is CC(C)/N=C/c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[3-(propan-2-yliminomethyl)phenyl]methanesulfonamide?
The InChIKey is DPWFVGZJGLFFAK-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-9(2)12-8-10-5-4-6-11(7-10)13-16(3,14)15/h4-9,13H,1-3H3/b12-8+.
What are the key properties of N-[3-(propan-2-yliminomethyl)phenyl]methanesulfonamide?
N-[3-(propan-2-yliminomethyl)phenyl]methanesulfonamide has a molecular weight of 240.33 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(propan-2-yliminomethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 166654172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).