(NE)-N-[1-(2-fluorophenyl)propylidene]-2-methylpropane-2-sulfinamide

C13H18FNOS — CID 58563160

IUPAC(NE)-N-[1-(2-fluorophenyl)propylidene]-2-methylpropane-2-sulfinamide
SMILESCC/C(=N\S(=O)C(C)(C)C)c1ccccc1F
InChIInChI=1S/C13H18FNOS/c1-5-12(15-17(16)13(2,3)4)10-8-6-7-9-11(10)14/h6-9H,5H2,1-4H3/b15-12+
InChIKeyNNVAYVNPAQVVOF-NTCAYCPXSA-N
MW255.36 g/mol
LogP3.49
Rot. Bonds3

About (NE)-N-[1-(2-fluorophenyl)propylidene]-2-methylpropane-2-sulfinamide

(NE)-N-[1-(2-fluorophenyl)propylidene]-2-methylpropane-2-sulfinamide (PubChem CID 58563160) has the molecular formula C13H18FNOS and a molecular weight of 255.36 g/mol. Its IUPAC name is (NE)-N-[1-(2-fluorophenyl)propylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE)-N-[1-(2-fluorophenyl)propylidene]-2-methylpropane-2-sulfinamide
PubChem CID58563160
Molecular FormulaC13H18FNOS
Molecular Weight255.36 g/mol
Exact Mass255.11
IUPAC Name(NE)-N-[1-(2-fluorophenyl)propylidene]-2-methylpropane-2-sulfinamide
SMILESCC/C(=N\S(=O)C(C)(C)C)c1ccccc1F
InChIInChI=1S/C13H18FNOS/c1-5-12(15-17(16)13(2,3)4)10-8-6-7-9-11(10)14/h6-9H,5H2,1-4H3/b15-12+
InChIKeyNNVAYVNPAQVVOF-NTCAYCPXSA-N
XLogP3.49
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.49
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

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
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
N-(1-(3-Fluorophenyl)ethylidene)hydroxylamine
CID 71359994
(R,E)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 86660404
4-(4-Fluorophenyl)dithiazole-5-thione
CID 44569470
N-[1-(4-fluorophenyl)ethylidene]hydroxylamine
CID 5359388
(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

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(2-fluorophenyl)propylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE)-N-[1-(2-fluorophenyl)propylidene]-2-methylpropane-2-sulfinamide (CID 58563160) is (NE)-N-[1-(2-fluorophenyl)propylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE)-N-[1-(2-fluorophenyl)propylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE)-N-[1-(2-fluorophenyl)propylidene]-2-methylpropane-2-sulfinamide is CC/C(=N\S(=O)C(C)(C)C)c1ccccc1F.
What is the InChIKey of (NE)-N-[1-(2-fluorophenyl)propylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is NNVAYVNPAQVVOF-NTCAYCPXSA-N. The full InChI is InChI=1S/C13H18FNOS/c1-5-12(15-17(16)13(2,3)4)10-8-6-7-9-11(10)14/h6-9H,5H2,1-4H3/b15-12+.
What are the key properties of (NE)-N-[1-(2-fluorophenyl)propylidene]-2-methylpropane-2-sulfinamide?
(NE)-N-[1-(2-fluorophenyl)propylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 255.36 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(2-fluorophenyl)propylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 58563160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).