(NE,R)-N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide

C14H18BrNOS — CID 89253723

IUPAC(NE,R)-N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C1\CCCc2ccc(Br)cc21
InChIInChI=1S/C14H18BrNOS/c1-14(2,3)18(17)16-13-6-4-5-10-7-8-11(15)9-12(10)13/h7-9H,4-6H2,1-3H3/b16-13+/t18-/m1/s1
InChIKeyUFSMTZSNFWQJJD-IYICPGQYSA-N
MW328.28 g/mol
LogP4.04
Rot. Bonds1

About (NE,R)-N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide

(NE,R)-N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide (PubChem CID 89253723) has the molecular formula C14H18BrNOS and a molecular weight of 328.28 g/mol. Its IUPAC name is (NE,R)-N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
PubChem CID89253723
Molecular FormulaC14H18BrNOS
Molecular Weight328.28 g/mol
Exact Mass327.03
IUPAC Name(NE,R)-N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C1\CCCc2ccc(Br)cc21
InChIInChI=1S/C14H18BrNOS/c1-14(2,3)18(17)16-13-6-4-5-10-7-8-11(15)9-12(10)13/h7-9H,4-6H2,1-3H3/b16-13+/t18-/m1/s1
InChIKeyUFSMTZSNFWQJJD-IYICPGQYSA-N
XLogP4.04
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 54.04
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-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
CID 67979348
(R)-N-(6-bromo-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide
CID 71078736
(R)-2-methyl-N-(7-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)propane-2-sulfinamide
CID 71078806
(R)-N-(6-bromo-2,3-dihydrothiochromen-4-ylidene)-2-methylpropane-2-sulfinamide
CID 71078808
(NE,S)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
CID 166499695
N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
CID 166499804
(S)-N-cyclobutylidene-2-methylpropane-2-sulfinamide
CID 124566539
N-(6''-Bromodispiro[1,3-dioxolane-2,1'-cyclohexane-4',2''-inden]-1''(3'' H)-ylidene)-2-methylpropane-2-sulfinamide
CID 67979386
N-(6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide
CID 149164710
(S)-N-(5-cyano-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide
CID 164874982
(R)-N-(7-bromo-3,4-dihydronaphthalen-1-yl)-2-methylpropane-2-sulfinamide
CID 123469634
(NE)-N-[(2S)-6-bromo-2-[(2R,4R)-2,4-dimethylhexyl]-2,3-dihydroinden-1-ylidene]-2-methylpropane-2-sulfinamide
CID 144584305

Frequently Asked Questions

What is the IUPAC name of (NE,R)-N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,R)-N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide (CID 89253723) is (NE,R)-N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,R)-N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,R)-N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)/N=C1\CCCc2ccc(Br)cc21.
What is the InChIKey of (NE,R)-N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide?
The InChIKey is UFSMTZSNFWQJJD-IYICPGQYSA-N. The full InChI is InChI=1S/C14H18BrNOS/c1-14(2,3)18(17)16-13-6-4-5-10-7-8-11(15)9-12(10)13/h7-9H,4-6H2,1-3H3/b16-13+/t18-/m1/s1.
What are the key properties of (NE,R)-N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide?
(NE,R)-N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide has a molecular weight of 328.28 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 89253723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).