(NE,S)-N-[(4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide

C11H14ClNOS — CID 11817387

IUPAC(NE,S)-N-[(4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNOS/c1-11(2,3)15(14)13-8-9-4-6-10(12)7-5-9/h4-8H,1-3H3/b13-8+/t15-/m0/s1
InChIKeyYQAZHKMIBKHOJC-NRUITVPNSA-N
MW243.76 g/mol
LogP3.22
Rot. Bonds2

About (NE,S)-N-[(4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide

(NE,S)-N-[(4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 11817387) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is (NE,S)-N-[(4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,S)-N-[(4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID11817387
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name(NE,S)-N-[(4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNOS/c1-11(2,3)15(14)13-8-9-4-6-10(12)7-5-9/h4-8H,1-3H3/b13-8+/t15-/m0/s1
InChIKeyYQAZHKMIBKHOJC-NRUITVPNSA-N
XLogP3.22
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 53.22
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 (NE,S)-N-[(4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,S)-N-[(4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide (CID 11817387) is (NE,S)-N-[(4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,S)-N-[(4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,S)-N-[(4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)/N=C/c1ccc(Cl)cc1.
What is the InChIKey of (NE,S)-N-[(4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is YQAZHKMIBKHOJC-NRUITVPNSA-N. The full InChI is InChI=1S/C11H14ClNOS/c1-11(2,3)15(14)13-8-9-4-6-10(12)7-5-9/h4-8H,1-3H3/b13-8+/t15-/m0/s1.
What are the key properties of (NE,S)-N-[(4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide?
(NE,S)-N-[(4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 243.76 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,S)-N-[(4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 11817387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).