N-[(2,6-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide

C11H13F2NOS — CID 123786002

IUPACN-[(2,6-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=Cc1c(F)cccc1F
InChIInChI=1S/C11H13F2NOS/c1-11(2,3)16(15)14-7-8-9(12)5-4-6-10(8)13/h4-7H,1-3H3
InChIKeyPKLOOHYWEVIZIK-UHFFFAOYSA-N
MW245.29 g/mol
LogP2.85
Rot. Bonds2

About N-[(2,6-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide

N-[(2,6-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 123786002) has the molecular formula C11H13F2NOS and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID123786002
Molecular FormulaC11H13F2NOS
Molecular Weight245.29 g/mol
Exact Mass245.07
IUPAC NameN-[(2,6-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=Cc1c(F)cccc1F
InChIInChI=1S/C11H13F2NOS/c1-11(2,3)16(15)14-7-8-9(12)5-4-6-10(8)13/h4-7H,1-3H3
InChIKeyPKLOOHYWEVIZIK-UHFFFAOYSA-N
XLogP2.85
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 102282577
(R)-N-[(3-fluoro-2-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167713018
(NE)-N-[(2,6-dimethylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 87750973
(NE,R)-N-[(2-bromo-3-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 168987790
(NE,R)-N-[(2-fluoro-3-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 171666415
(NE)-N-[(2-bromo-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167527143
N-[(2-bromo-6-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 172724895
(NE,R)-N-[(3-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 87105645
N-[(2-chloro-6-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 171337628
(NE)-N-[(3-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 89405877
(S)-N-[(3-bromo-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167530745
N-[[4-(1,1-difluoroethyl)-2-fluorophenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 142728758

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(2,6-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide (CID 123786002) is N-[(2,6-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N=Cc1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is PKLOOHYWEVIZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NOS/c1-11(2,3)16(15)14-7-8-9(12)5-4-6-10(8)13/h4-7H,1-3H3.
What are the key properties of N-[(2,6-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide?
N-[(2,6-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 245.29 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 123786002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).