(S)-N-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide

C11H14FNO2S — CID 150635533

IUPAC(S)-N-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N=Cc1cc(F)ccc1O
InChIInChI=1S/C11H14FNO2S/c1-11(2,3)16(15)13-7-8-6-9(12)4-5-10(8)14/h4-7,14H,1-3H3/t16-/m0/s1
InChIKeyIYUMXARIKSQOJR-INIZCTEOSA-N
MW243.30 g/mol
LogP2.41
Rot. Bonds2

About (S)-N-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide

(S)-N-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 150635533) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is (S)-N-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID150635533
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name(S)-N-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N=Cc1cc(F)ccc1O
InChIInChI=1S/C11H14FNO2S/c1-11(2,3)16(15)13-7-8-6-9(12)4-5-10(8)14/h4-7,14H,1-3H3/t16-/m0/s1
InChIKeyIYUMXARIKSQOJR-INIZCTEOSA-N
XLogP2.41
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
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 (S)-N-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide (CID 150635533) is (S)-N-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)N=Cc1cc(F)ccc1O.
What is the InChIKey of (S)-N-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is IYUMXARIKSQOJR-INIZCTEOSA-N. The full InChI is InChI=1S/C11H14FNO2S/c1-11(2,3)16(15)13-7-8-6-9(12)4-5-10(8)14/h4-7,14H,1-3H3/t16-/m0/s1.
What are the key properties of (S)-N-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide?
(S)-N-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 243.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 150635533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).