(NZ,R)-N-[1-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropylidene]-2-methylpropane-2-sulfinamide

C17H27ClN2OS — CID 53243223

IUPAC(NZ,R)-N-[1-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropylidene]-2-methylpropane-2-sulfinamide
SMILESCN(C)c1ccc(Cl)cc1/C(=N\[S@](=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H27ClN2OS/c1-16(2,3)15(19-22(21)17(4,5)6)13-11-12(18)9-10-14(13)20(7)8/h9-11H,1-8H3/b19-15+/t22-/m1/s1
InChIKeyBVLWNSICNVGOQQ-JIKIWWBOSA-N
MW342.94 g/mol
LogP4.70
Rot. Bonds3

About (NZ,R)-N-[1-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropylidene]-2-methylpropane-2-sulfinamide

(NZ,R)-N-[1-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropylidene]-2-methylpropane-2-sulfinamide (PubChem CID 53243223) has the molecular formula C17H27ClN2OS and a molecular weight of 342.94 g/mol. Its IUPAC name is (NZ,R)-N-[1-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NZ,R)-N-[1-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropylidene]-2-methylpropane-2-sulfinamide
PubChem CID53243223
Molecular FormulaC17H27ClN2OS
Molecular Weight342.94 g/mol
Exact Mass342.15
IUPAC Name(NZ,R)-N-[1-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropylidene]-2-methylpropane-2-sulfinamide
SMILESCN(C)c1ccc(Cl)cc1/C(=N\[S@](=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H27ClN2OS/c1-16(2,3)15(19-22(21)17(4,5)6)13-11-12(18)9-10-14(13)20(7)8/h9-11H,1-8H3/b19-15+/t22-/m1/s1
InChIKeyBVLWNSICNVGOQQ-JIKIWWBOSA-N
XLogP4.70
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.94
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (NZ,R)-N-[1-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NZ,R)-N-[1-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropylidene]-2-methylpropane-2-sulfinamide (CID 53243223) is (NZ,R)-N-[1-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NZ,R)-N-[1-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NZ,R)-N-[1-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropylidene]-2-methylpropane-2-sulfinamide is CN(C)c1ccc(Cl)cc1/C(=N\[S@](=O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (NZ,R)-N-[1-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is BVLWNSICNVGOQQ-JIKIWWBOSA-N. The full InChI is InChI=1S/C17H27ClN2OS/c1-16(2,3)15(19-22(21)17(4,5)6)13-11-12(18)9-10-14(13)20(7)8/h9-11H,1-8H3/b19-15+/t22-/m1/s1.
What are the key properties of (NZ,R)-N-[1-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropylidene]-2-methylpropane-2-sulfinamide?
(NZ,R)-N-[1-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 342.94 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ,R)-N-[1-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 53243223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).