(NE)-N-[1-(2-fluorophenyl)pent-4-enylidene]-2-methylpropane-2-sulfinamide

C15H20FNOS — CID 129202531

IUPAC(NE)-N-[1-(2-fluorophenyl)pent-4-enylidene]-2-methylpropane-2-sulfinamide
SMILESC=CCC/C(=N\S(=O)C(C)(C)C)c1ccccc1F
InChIInChI=1S/C15H20FNOS/c1-5-6-11-14(17-19(18)15(2,3)4)12-9-7-8-10-13(12)16/h5,7-10H,1,6,11H2,2-4H3/b17-14+
InChIKeyIFWRLNMGHPKPNY-SAPNQHFASA-N
MW281.40 g/mol
LogP4.04
Rot. Bonds5

About (NE)-N-[1-(2-fluorophenyl)pent-4-enylidene]-2-methylpropane-2-sulfinamide

(NE)-N-[1-(2-fluorophenyl)pent-4-enylidene]-2-methylpropane-2-sulfinamide (PubChem CID 129202531) has the molecular formula C15H20FNOS and a molecular weight of 281.40 g/mol. Its IUPAC name is (NE)-N-[1-(2-fluorophenyl)pent-4-enylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE)-N-[1-(2-fluorophenyl)pent-4-enylidene]-2-methylpropane-2-sulfinamide
PubChem CID129202531
Molecular FormulaC15H20FNOS
Molecular Weight281.40 g/mol
Exact Mass281.12
IUPAC Name(NE)-N-[1-(2-fluorophenyl)pent-4-enylidene]-2-methylpropane-2-sulfinamide
SMILESC=CCC/C(=N\S(=O)C(C)(C)C)c1ccccc1F
InChIInChI=1S/C15H20FNOS/c1-5-6-11-14(17-19(18)15(2,3)4)12-9-7-8-10-13(12)16/h5,7-10H,1,6,11H2,2-4H3/b17-14+
InChIKeyIFWRLNMGHPKPNY-SAPNQHFASA-N
XLogP4.04
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-fluorophenyl)pent-4-enylidene]-2-methylpropane-2-sulfinamide
CID 154038982
N-[1-(2-fluorophenyl)-3-phenylmethoxypropylidene]-2-methylpropane-2-sulfinamide
CID 154038981
(NZ,R)-N-[2,2-difluoro-1-(2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 121324402
(NZ,R)-N-[1-(2,3-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 90373303
(R)-N-[1-(2-chloro-3-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 86732268
1-(2-bromo-3-fluorophenyl)pent-4-en-1-one
CID 114974946
1-(2-bromo-3-fluorophenyl)-2-methylhex-5-en-2-ol
CID 104656402
N-methoxy-1-(2-methylphenyl)pent-4-en-1-imine
CID 163212329
2-(2,6-difluorophenyl)hex-5-en-2-ol
CID 104656171
N-[(2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 102282577
N-[2-[bis(prop-2-enyl)amino]-1-(2-fluorophenyl)ethylidene]hydroxylamine
CID 118956595
(NE,R)-N-[(3S)-3-hydroxy-4,4-dimethyl-1-phenylpentylidene]-2-methylpropane-2-sulfinamide
CID 135077221

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(2-fluorophenyl)pent-4-enylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE)-N-[1-(2-fluorophenyl)pent-4-enylidene]-2-methylpropane-2-sulfinamide (CID 129202531) is (NE)-N-[1-(2-fluorophenyl)pent-4-enylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE)-N-[1-(2-fluorophenyl)pent-4-enylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE)-N-[1-(2-fluorophenyl)pent-4-enylidene]-2-methylpropane-2-sulfinamide is C=CCC/C(=N\S(=O)C(C)(C)C)c1ccccc1F.
What is the InChIKey of (NE)-N-[1-(2-fluorophenyl)pent-4-enylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is IFWRLNMGHPKPNY-SAPNQHFASA-N. The full InChI is InChI=1S/C15H20FNOS/c1-5-6-11-14(17-19(18)15(2,3)4)12-9-7-8-10-13(12)16/h5,7-10H,1,6,11H2,2-4H3/b17-14+.
What are the key properties of (NE)-N-[1-(2-fluorophenyl)pent-4-enylidene]-2-methylpropane-2-sulfinamide?
(NE)-N-[1-(2-fluorophenyl)pent-4-enylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 281.40 g/mol, XLogP of 4.04, 5 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)pent-4-enylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 129202531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).