(NE,R)-N-[(2R)-2-fluoropent-4-enylidene]-2-methylpropane-2-sulfinamide

C9H16FNOS — CID 56641840

IUPAC(NE,R)-N-[(2R)-2-fluoropent-4-enylidene]-2-methylpropane-2-sulfinamide
SMILESC=CC[C@@H](F)/C=N/[S@](=O)C(C)(C)C
InChIInChI=1S/C9H16FNOS/c1-5-6-8(10)7-11-13(12)9(2,3)4/h5,7-8H,1,6H2,2-4H3/b11-7+/t8-,13-/m1/s1
InChIKeyAGOYFDZKBWSESN-FPHKZUDGSA-N
MW205.30 g/mol
LogP2.43
Rot. Bonds4

About (NE,R)-N-[(2R)-2-fluoropent-4-enylidene]-2-methylpropane-2-sulfinamide

(NE,R)-N-[(2R)-2-fluoropent-4-enylidene]-2-methylpropane-2-sulfinamide (PubChem CID 56641840) has the molecular formula C9H16FNOS and a molecular weight of 205.30 g/mol. Its IUPAC name is (NE,R)-N-[(2R)-2-fluoropent-4-enylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-N-[(2R)-2-fluoropent-4-enylidene]-2-methylpropane-2-sulfinamide
PubChem CID56641840
Molecular FormulaC9H16FNOS
Molecular Weight205.30 g/mol
Exact Mass205.09
IUPAC Name(NE,R)-N-[(2R)-2-fluoropent-4-enylidene]-2-methylpropane-2-sulfinamide
SMILESC=CC[C@@H](F)/C=N/[S@](=O)C(C)(C)C
InChIInChI=1S/C9H16FNOS/c1-5-6-8(10)7-11-13(12)9(2,3)4/h5,7-8H,1,6H2,2-4H3/b11-7+/t8-,13-/m1/s1
InChIKeyAGOYFDZKBWSESN-FPHKZUDGSA-N
XLogP2.43
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.43
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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Frequently Asked Questions

What is the IUPAC name of (NE,R)-N-[(2R)-2-fluoropent-4-enylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,R)-N-[(2R)-2-fluoropent-4-enylidene]-2-methylpropane-2-sulfinamide (CID 56641840) is (NE,R)-N-[(2R)-2-fluoropent-4-enylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,R)-N-[(2R)-2-fluoropent-4-enylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,R)-N-[(2R)-2-fluoropent-4-enylidene]-2-methylpropane-2-sulfinamide is C=CC[C@@H](F)/C=N/[S@](=O)C(C)(C)C.
What is the InChIKey of (NE,R)-N-[(2R)-2-fluoropent-4-enylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is AGOYFDZKBWSESN-FPHKZUDGSA-N. The full InChI is InChI=1S/C9H16FNOS/c1-5-6-8(10)7-11-13(12)9(2,3)4/h5,7-8H,1,6H2,2-4H3/b11-7+/t8-,13-/m1/s1.
What are the key properties of (NE,R)-N-[(2R)-2-fluoropent-4-enylidene]-2-methylpropane-2-sulfinamide?
(NE,R)-N-[(2R)-2-fluoropent-4-enylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 205.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-N-[(2R)-2-fluoropent-4-enylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 56641840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).