N-[(3-chloro-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide

C12H16ClNO2S — CID 171337639

IUPACN-[(3-chloro-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCOc1c(Cl)cccc1C=NS(=O)C(C)(C)C
InChIInChI=1S/C12H16ClNO2S/c1-12(2,3)17(15)14-8-9-6-5-7-10(13)11(9)16-4/h5-8H,1-4H3
InChIKeyAAQYQWVPZAPQFZ-UHFFFAOYSA-N
MW273.79 g/mol
LogP3.23
Rot. Bonds3

About N-[(3-chloro-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide

N-[(3-chloro-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 171337639) has the molecular formula C12H16ClNO2S and a molecular weight of 273.79 g/mol. Its IUPAC name is N-[(3-chloro-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(3-chloro-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID171337639
Molecular FormulaC12H16ClNO2S
Molecular Weight273.79 g/mol
Exact Mass273.06
IUPAC NameN-[(3-chloro-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCOc1c(Cl)cccc1C=NS(=O)C(C)(C)C
InChIInChI=1S/C12H16ClNO2S/c1-12(2,3)17(15)14-8-9-6-5-7-10(13)11(9)16-4/h5-8H,1-4H3
InChIKeyAAQYQWVPZAPQFZ-UHFFFAOYSA-N
XLogP3.23
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3-chloro-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide 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 N-[(3-chloro-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(3-chloro-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide (CID 171337639) is N-[(3-chloro-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(3-chloro-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(3-chloro-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide is COc1c(Cl)cccc1C=NS(=O)C(C)(C)C.
What is the InChIKey of N-[(3-chloro-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is AAQYQWVPZAPQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c1-12(2,3)17(15)14-8-9-6-5-7-10(13)11(9)16-4/h5-8H,1-4H3.
What are the key properties of N-[(3-chloro-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide?
N-[(3-chloro-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 273.79 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 171337639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).