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

C14H18BrNOS — CID 67979348

IUPACN-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=C1CCCc2ccc(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
InChIKeyUFSMTZSNFWQJJD-UHFFFAOYSA-N
MW328.28 g/mol
LogP4.04
Rot. Bonds1

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

N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide (PubChem CID 67979348) has the molecular formula C14H18BrNOS and a molecular weight of 328.28 g/mol. Its IUPAC name is N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
PubChem CID67979348
Molecular FormulaC14H18BrNOS
Molecular Weight328.28 g/mol
Exact Mass327.03
IUPAC NameN-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=C1CCCc2ccc(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
InChIKeyUFSMTZSNFWQJJD-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide (CID 67979348) is N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N=C1CCCc2ccc(Br)cc21.
What is the InChIKey of N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide?
The InChIKey is UFSMTZSNFWQJJD-UHFFFAOYSA-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.
What are the key properties of N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide?
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 N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 67979348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).