N-[(2-chloro-6-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide

C12H16ClNOS — CID 171337628

IUPACN-[(2-chloro-6-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCc1cccc(Cl)c1C=NS(=O)C(C)(C)C
InChIInChI=1S/C12H16ClNOS/c1-9-6-5-7-11(13)10(9)8-14-16(15)12(2,3)4/h5-8H,1-4H3
InChIKeyFVXWGSPAXUSJOZ-UHFFFAOYSA-N
MW257.79 g/mol
LogP3.53
Rot. Bonds2

About N-[(2-chloro-6-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide

N-[(2-chloro-6-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 171337628) has the molecular formula C12H16ClNOS and a molecular weight of 257.79 g/mol. Its IUPAC name is N-[(2-chloro-6-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID171337628
Molecular FormulaC12H16ClNOS
Molecular Weight257.79 g/mol
Exact Mass257.06
IUPAC NameN-[(2-chloro-6-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCc1cccc(Cl)c1C=NS(=O)C(C)(C)C
InChIInChI=1S/C12H16ClNOS/c1-9-6-5-7-11(13)10(9)8-14-16(15)12(2,3)4/h5-8H,1-4H3
InChIKeyFVXWGSPAXUSJOZ-UHFFFAOYSA-N
XLogP3.53
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(2-chloro-6-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(2-chloro-6-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide (CID 171337628) is N-[(2-chloro-6-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(2-chloro-6-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(2-chloro-6-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide is Cc1cccc(Cl)c1C=NS(=O)C(C)(C)C.
What is the InChIKey of N-[(2-chloro-6-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is FVXWGSPAXUSJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNOS/c1-9-6-5-7-11(13)10(9)8-14-16(15)12(2,3)4/h5-8H,1-4H3.
What are the key properties of N-[(2-chloro-6-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide?
N-[(2-chloro-6-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 257.79 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 171337628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).