(NE,R)-N-(2-fluoroethylidene)-2-methylpropane-2-sulfinamide

C6H12FNOS — CID 50939528

IUPAC(NE,R)-N-(2-fluoroethylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C/CF
InChIInChI=1S/C6H12FNOS/c1-6(2,3)10(9)8-5-4-7/h5H,4H2,1-3H3/b8-5+/t10-/m1/s1
InChIKeyJDEOVMRRUAJZFO-VHODGJRUSA-N
MW165.23 g/mol
LogP1.49
Rot. Bonds2

About (NE,R)-N-(2-fluoroethylidene)-2-methylpropane-2-sulfinamide

(NE,R)-N-(2-fluoroethylidene)-2-methylpropane-2-sulfinamide (PubChem CID 50939528) has the molecular formula C6H12FNOS and a molecular weight of 165.23 g/mol. Its IUPAC name is (NE,R)-N-(2-fluoroethylidene)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-N-(2-fluoroethylidene)-2-methylpropane-2-sulfinamide
PubChem CID50939528
Molecular FormulaC6H12FNOS
Molecular Weight165.23 g/mol
Exact Mass165.06
IUPAC Name(NE,R)-N-(2-fluoroethylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C/CF
InChIInChI=1S/C6H12FNOS/c1-6(2,3)10(9)8-5-4-7/h5H,4H2,1-3H3/b8-5+/t10-/m1/s1
InChIKeyJDEOVMRRUAJZFO-VHODGJRUSA-N
XLogP1.49
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.23
LogP ≤ 51.49
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

(NZ,R)-2-methyl-N-propylidenepropane-2-sulfinamide
CID 129286833
(NE,S)-2-methyl-N-propylidenepropane-2-sulfinamide
CID 135084343
(R)-2-methyl-N-(3-methylbutylidene)propane-2-sulfinamide
CID 91197470
(NE,R)-N-(4-chlorobutylidene)-2-methylpropane-2-sulfinamide
CID 57333504
(NE,S)-2-methyl-N-nonylidenepropane-2-sulfinamide
CID 11265085
(NE,S)-N-decylidene-2-methylpropane-2-sulfinamide
CID 57331784
(S)-N-(6-chlorohexylidene)-2-methylpropane-2-sulfinamide
CID 124645955
(NE,S)-N-(2-cyclohexylethylidene)-2-methylpropane-2-sulfinamide
CID 11413565
N-tert-butylsulfinylmethanimidoyl iodide
CID 154006692
2-methyl-N-[2-(2,4,6-trifluorophenyl)ethylidene]propane-2-sulfinamide
CID 66579129
N-(cyclopropylmethylidene)-2-methylpropane-2-sulfinamide
CID 66701339
N-[2-(cyclopropylmethoxy)ethylidene]-2-methylpropane-2-sulfinamide
CID 174210816

Frequently Asked Questions

What is the IUPAC name of (NE,R)-N-(2-fluoroethylidene)-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,R)-N-(2-fluoroethylidene)-2-methylpropane-2-sulfinamide (CID 50939528) is (NE,R)-N-(2-fluoroethylidene)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,R)-N-(2-fluoroethylidene)-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,R)-N-(2-fluoroethylidene)-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)/N=C/CF.
What is the InChIKey of (NE,R)-N-(2-fluoroethylidene)-2-methylpropane-2-sulfinamide?
The InChIKey is JDEOVMRRUAJZFO-VHODGJRUSA-N. The full InChI is InChI=1S/C6H12FNOS/c1-6(2,3)10(9)8-5-4-7/h5H,4H2,1-3H3/b8-5+/t10-/m1/s1.
What are the key properties of (NE,R)-N-(2-fluoroethylidene)-2-methylpropane-2-sulfinamide?
(NE,R)-N-(2-fluoroethylidene)-2-methylpropane-2-sulfinamide has a molecular weight of 165.23 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-N-(2-fluoroethylidene)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 50939528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).