(NE,R)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide

C12H16FNOS — CID 87126802

IUPAC(NE,R)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(=N\[S@](=O)C(C)(C)C)/C1=CC=CC=C1F
InChIInChI=1S/C12H16FNOS/c1-9(14-16(15)12(2,3)4)10-7-5-6-8-11(10)13/h5-8H,1-4H3/b14-9+/t16-/m1/s1
InChIKeyOKHWNHLHWQZWEC-SCZPIIQISA-N
MW241.33 g/mol
LogP2.30
Rot. Bonds3

About (NE,R)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide

(NE,R)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 87126802) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is (NE,R)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID87126802
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC Name(NE,R)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(=N\[S@](=O)C(C)(C)C)/C1=CC=CC=C1F
InChIInChI=1S/C12H16FNOS/c1-9(14-16(15)12(2,3)4)10-7-5-6-8-11(10)13/h5-8H,1-4H3/b14-9+/t16-/m1/s1
InChIKeyOKHWNHLHWQZWEC-SCZPIIQISA-N
XLogP2.30
TPSA48.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity296

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4'-Fluoroacetophenone oxime
CID 5382861
(NE)-N-[(E)-1-(4-fluorophenyl)-2-methylhex-1-en-3-ylidene]hydroxylamine
CID 44137961
1-(4-Fluorophenyl)ethanone oxime
CID 9497
N-[1-(4-fluorophenyl)ethylidene]hydroxylamine
CID 5359388
(R)-N-[(1E)-1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 87126877
O-Fluoroacetophenone oxime
CID 9603264
(NE)-N-[(E)-1-(4-fluorophenyl)-2-methylhept-1-en-3-ylidene]hydroxylamine
CID 44135990
N-[1-(2-fluorophenyl)ethylidene]hydroxylamine
CID 592758
2-propanesulfinamide,N-[1-(2-fluoro-5-bromophenyl)ethylidene]-2-methyl,[S(R)]-
CID 58304215
N-(1-(3-Fluorophenyl)ethylidene)hydroxylamine
CID 71359994
(R,E)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 86660404
(S,E)-N-(1-(5-Bromo-2-fluorophenyl)ethylidene)-2-methylpropane-2-sulfinamide
CID 123725529

Frequently Asked Questions

What is the IUPAC name of (NE,R)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,R)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide (CID 87126802) is (NE,R)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,R)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,R)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide is C/C(=N\[S@](=O)C(C)(C)C)/C1=CC=CC=C1F.
What is the InChIKey of (NE,R)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is OKHWNHLHWQZWEC-SCZPIIQISA-N. The full InChI is InChI=1S/C12H16FNOS/c1-9(14-16(15)12(2,3)4)10-7-5-6-8-11(10)13/h5-8H,1-4H3/b14-9+/t16-/m1/s1.
What are the key properties of (NE,R)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
(NE,R)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 241.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 87126802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).