(S)-N-[(2-fluoro-4-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide

C12H16FNOS — CID 167530933

IUPAC(S)-N-[(2-fluoro-4-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCc1ccc(C=N[S@@](=O)C(C)(C)C)c(F)c1
InChIInChI=1S/C12H16FNOS/c1-9-5-6-10(11(13)7-9)8-14-16(15)12(2,3)4/h5-8H,1-4H3/t16-/m0/s1
InChIKeySWACPWVPPHMFRE-INIZCTEOSA-N
MW241.33 g/mol
LogP3.02
Rot. Bonds2

About (S)-N-[(2-fluoro-4-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide

(S)-N-[(2-fluoro-4-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 167530933) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is (S)-N-[(2-fluoro-4-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(2-fluoro-4-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID167530933
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC Name(S)-N-[(2-fluoro-4-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCc1ccc(C=N[S@@](=O)C(C)(C)C)c(F)c1
InChIInChI=1S/C12H16FNOS/c1-9-5-6-10(11(13)7-9)8-14-16(15)12(2,3)4/h5-8H,1-4H3/t16-/m0/s1
InChIKeySWACPWVPPHMFRE-INIZCTEOSA-N
XLogP3.02
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (S)-N-[(2-fluoro-4-methylphenyl)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

Related Compounds

(S)-N-[(4-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 70993658
N-[[4-(1,1-difluoroethyl)-2-fluorophenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 142728758
(NE,R)-N-[[4-(1,1-difluoroethyl)-2-fluorophenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 90414196
N-[(2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 102282577
(R)-N-[(2-bromo-5-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167530767
(R)-N-[(3-fluoro-2-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167713018
(R)-N-[(5-fluoro-2-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167530969
(S)-N-[(5-bromo-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167530717
(NE,S)-N-[[4-(2-ethylphenyl)-2-fluorophenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 87458484
(NE,R)-N-[(2-fluoro-3-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 171666415
(NE,S)-N-[(4-bromo-3-fluoro-2-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 153295550
(S)-N-[(4,5-difluoro-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 150591949

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(2-fluoro-4-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(2-fluoro-4-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide (CID 167530933) is (S)-N-[(2-fluoro-4-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(2-fluoro-4-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(2-fluoro-4-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide is Cc1ccc(C=N[S@@](=O)C(C)(C)C)c(F)c1.
What is the InChIKey of (S)-N-[(2-fluoro-4-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is SWACPWVPPHMFRE-INIZCTEOSA-N. The full InChI is InChI=1S/C12H16FNOS/c1-9-5-6-10(11(13)7-9)8-14-16(15)12(2,3)4/h5-8H,1-4H3/t16-/m0/s1.
What are the key properties of (S)-N-[(2-fluoro-4-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide?
(S)-N-[(2-fluoro-4-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 241.33 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(2-fluoro-4-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 167530933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).