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

C14H18FNOS — CID 166499695

IUPAC(NE,S)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)/N=C1\CCCc2cc(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/b16-13+/t18-/m0/s1
InChIKeyVNLLKYBBWLYLKA-QCUIPMNBSA-N
MW267.37 g/mol
LogP3.41
Rot. Bonds1

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

(NE,S)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide (PubChem CID 166499695) has the molecular formula C14H18FNOS and a molecular weight of 267.37 g/mol. Its IUPAC name is (NE,S)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,S)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
PubChem CID166499695
Molecular FormulaC14H18FNOS
Molecular Weight267.37 g/mol
Exact Mass267.11
IUPAC Name(NE,S)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)/N=C1\CCCc2cc(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/b16-13+/t18-/m0/s1
InChIKeyVNLLKYBBWLYLKA-QCUIPMNBSA-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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Related Compounds

N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
CID 166499804
(NE,R)-N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
CID 89253723
N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
CID 67979348
(NE)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 145095374
(R)-2-methyl-N-(7-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)propane-2-sulfinamide
CID 71078806
N-[(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-methylbenzenesulfonamide
CID 169258244
(R)-N-(6-bromo-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide
CID 71078736
ethyl 2-[(1R,3E)-3-[(R)-tert-butylsulfinyl]imino-5-fluoro-1,2-dihydroinden-1-yl]acetate
CID 56934433
(S)-N-cyclobutylidene-2-methylpropane-2-sulfinamide
CID 124566539
tert-butyl (3Z)-3-[(R)-tert-butylsulfinyl]imino-6-fluorospiro[1H-indene-2,4'-piperidine]-1'-carboxylate
CID 176654489
N-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 139781117
(R)-N-(6-bromo-2,3-dihydrothiochromen-4-ylidene)-2-methylpropane-2-sulfinamide
CID 71078808

Frequently Asked Questions

What is the IUPAC name of (NE,S)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,S)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide (CID 166499695) is (NE,S)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,S)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,S)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)/N=C1\CCCc2cc(F)ccc21.
What is the InChIKey of (NE,S)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide?
The InChIKey is VNLLKYBBWLYLKA-QCUIPMNBSA-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/b16-13+/t18-/m0/s1.
What are the key properties of (NE,S)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide?
(NE,S)-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 (NE,S)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 166499695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).