N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide

C14H18FNOS — CID 166499804

IUPACN-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=C1CCCc2cc(F)ccc21
InChIInChI=1S/C14H18FNOS/c1-14(2,3)18(17)16-13-6-4-5-10-9-11(15)7-8-12(10)13/h7-9H,4-6H2,1-3H3
InChIKeyVNLLKYBBWLYLKA-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.41
Rot. Bonds1

About N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide

N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide (PubChem CID 166499804) has the molecular formula C14H18FNOS and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
PubChem CID166499804
Molecular FormulaC14H18FNOS
Molecular Weight267.37 g/mol
Exact Mass267.11
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=C1CCCc2cc(F)ccc21
InChIInChI=1S/C14H18FNOS/c1-14(2,3)18(17)16-13-6-4-5-10-9-11(15)7-8-12(10)13/h7-9H,4-6H2,1-3H3
InChIKeyVNLLKYBBWLYLKA-UHFFFAOYSA-N
XLogP3.41
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide (CID 166499804) is N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N=C1CCCc2cc(F)ccc21.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide?
The InChIKey is VNLLKYBBWLYLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNOS/c1-14(2,3)18(17)16-13-6-4-5-10-9-11(15)7-8-12(10)13/h7-9H,4-6H2,1-3H3.
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide?
N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide has a molecular weight of 267.37 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 166499804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).