(NE,R)-N-[4-(4-fluorophenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide

C14H20FNOS — CID 118278047

IUPAC(NE,R)-N-[4-(4-fluorophenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(CCc1ccc(F)cc1)=N\[S@](=O)C(C)(C)C
InChIInChI=1S/C14H20FNOS/c1-11(16-18(17)14(2,3)4)5-6-12-7-9-13(15)10-8-12/h7-10H,5-6H2,1-4H3/b16-11+/t18-/m1/s1
InChIKeyRUJMARYIVWZFGU-QIPHDZALSA-N
MW269.38 g/mol
LogP3.68
Rot. Bonds4

About (NE,R)-N-[4-(4-fluorophenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide

(NE,R)-N-[4-(4-fluorophenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide (PubChem CID 118278047) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is (NE,R)-N-[4-(4-fluorophenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-N-[4-(4-fluorophenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide
PubChem CID118278047
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name(NE,R)-N-[4-(4-fluorophenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(CCc1ccc(F)cc1)=N\[S@](=O)C(C)(C)C
InChIInChI=1S/C14H20FNOS/c1-11(16-18(17)14(2,3)4)5-6-12-7-9-13(15)10-8-12/h7-10H,5-6H2,1-4H3/b16-11+/t18-/m1/s1
InChIKeyRUJMARYIVWZFGU-QIPHDZALSA-N
XLogP3.68
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.68
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

(NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 17748530
(NE,S)-N-[4-chloro-1-(4-fluorophenyl)butylidene]-2-methylpropane-2-sulfinamide
CID 46188500
(NE,R)-N-[1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 87126802
(NE,R)-N-[(2S)-2-(2,3-difluorophenyl)hex-5-enylidene]-2-methylpropane-2-sulfinamide
CID 89158770
(NE)-N-[(2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 89500889
(NE,R)-N-[(2,5-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 132145752
(NE,R)-2-methyl-N-(2,2,2-trifluoro-1-phenylethylidene)propane-2-sulfinamide
CID 11637674
(NE,R)-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethylidene]propane-2-sulfinamide
CID 16083440
3-(4-Fluorophenyl)-4,5-dihydro-1,2-thiazole 1,1-dioxide
CID 44222549
(NE,S)-2-methyl-N-(2,2,2-trifluoro-1-phenylethylidene)propane-2-sulfinamide
CID 60150007
(NE,R)-2-methyl-N-(1,1,1-trifluoro-4-phenylbutan-2-ylidene)propane-2-sulfinamide
CID 135077946
(NE,R)-2-methyl-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]propane-2-sulfinamide
CID 135077950

Frequently Asked Questions

What is the IUPAC name of (NE,R)-N-[4-(4-fluorophenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,R)-N-[4-(4-fluorophenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide (CID 118278047) is (NE,R)-N-[4-(4-fluorophenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,R)-N-[4-(4-fluorophenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,R)-N-[4-(4-fluorophenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide is C/C(CCc1ccc(F)cc1)=N\[S@](=O)C(C)(C)C.
What is the InChIKey of (NE,R)-N-[4-(4-fluorophenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is RUJMARYIVWZFGU-QIPHDZALSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-11(16-18(17)14(2,3)4)5-6-12-7-9-13(15)10-8-12/h7-10H,5-6H2,1-4H3/b16-11+/t18-/m1/s1.
What are the key properties of (NE,R)-N-[4-(4-fluorophenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide?
(NE,R)-N-[4-(4-fluorophenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 269.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-N-[4-(4-fluorophenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 118278047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).