(2S)-3-(4-chlorophenyl)-2-methyl-N'-methylsulfonylpropanimidamide

C11H15ClN2O2S — CID 158392731

IUPAC(2S)-3-(4-chlorophenyl)-2-methyl-N'-methylsulfonylpropanimidamide
SMILESC[C@@H](Cc1ccc(Cl)cc1)C(N)=NS(C)(=O)=O
InChIInChI=1S/C11H15ClN2O2S/c1-8(11(13)14-17(2,15)16)7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H2,13,14)/t8-/m0/s1
InChIKeyGXDYTKZHPKBYJP-QMMMGPOBSA-N
MW274.77 g/mol
LogP1.84
Rot. Bonds4

About (2S)-3-(4-chlorophenyl)-2-methyl-N'-methylsulfonylpropanimidamide

(2S)-3-(4-chlorophenyl)-2-methyl-N'-methylsulfonylpropanimidamide (PubChem CID 158392731) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is (2S)-3-(4-chlorophenyl)-2-methyl-N'-methylsulfonylpropanimidamide.

Molecular Properties

Compound Name(2S)-3-(4-chlorophenyl)-2-methyl-N'-methylsulfonylpropanimidamide
PubChem CID158392731
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name(2S)-3-(4-chlorophenyl)-2-methyl-N'-methylsulfonylpropanimidamide
SMILESC[C@@H](Cc1ccc(Cl)cc1)C(N)=NS(C)(=O)=O
InChIInChI=1S/C11H15ClN2O2S/c1-8(11(13)14-17(2,15)16)7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H2,13,14)/t8-/m0/s1
InChIKeyGXDYTKZHPKBYJP-QMMMGPOBSA-N
XLogP1.84
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-3-(4-chlorophenyl)-2-methyl-N'-methylsulfonylpropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-chlorophenyl)-2-methyl-N'-methylsulfonylpropanimidamide?
The IUPAC name of (2S)-3-(4-chlorophenyl)-2-methyl-N'-methylsulfonylpropanimidamide (CID 158392731) is (2S)-3-(4-chlorophenyl)-2-methyl-N'-methylsulfonylpropanimidamide.
What is the SMILES notation for (2S)-3-(4-chlorophenyl)-2-methyl-N'-methylsulfonylpropanimidamide?
The canonical SMILES for (2S)-3-(4-chlorophenyl)-2-methyl-N'-methylsulfonylpropanimidamide is C[C@@H](Cc1ccc(Cl)cc1)C(N)=NS(C)(=O)=O.
What is the InChIKey of (2S)-3-(4-chlorophenyl)-2-methyl-N'-methylsulfonylpropanimidamide?
The InChIKey is GXDYTKZHPKBYJP-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-8(11(13)14-17(2,15)16)7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H2,13,14)/t8-/m0/s1.
What are the key properties of (2S)-3-(4-chlorophenyl)-2-methyl-N'-methylsulfonylpropanimidamide?
(2S)-3-(4-chlorophenyl)-2-methyl-N'-methylsulfonylpropanimidamide has a molecular weight of 274.77 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-chlorophenyl)-2-methyl-N'-methylsulfonylpropanimidamide is sourced from PubChem (CID 158392731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).