(NE)-N-(7-bromo-3,3-dimethyl-2,4-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide

C16H22BrNOS — CID 71624916

IUPAC(NE)-N-(7-bromo-3,3-dimethyl-2,4-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
SMILESCC1(C)C/C(=N\S(=O)C(C)(C)C)c2cc(Br)ccc2C1
InChIInChI=1S/C16H22BrNOS/c1-15(2,3)20(19)18-14-10-16(4,5)9-11-6-7-12(17)8-13(11)14/h6-8H,9-10H2,1-5H3/b18-14+
InChIKeyNHZXKJFOMGIZQD-NBVRZTHBSA-N
MW356.33 g/mol
LogP4.67
Rot. Bonds1

About (NE)-N-(7-bromo-3,3-dimethyl-2,4-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide

(NE)-N-(7-bromo-3,3-dimethyl-2,4-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide (PubChem CID 71624916) has the molecular formula C16H22BrNOS and a molecular weight of 356.33 g/mol. Its IUPAC name is (NE)-N-(7-bromo-3,3-dimethyl-2,4-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE)-N-(7-bromo-3,3-dimethyl-2,4-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
PubChem CID71624916
Molecular FormulaC16H22BrNOS
Molecular Weight356.33 g/mol
Exact Mass355.06
IUPAC Name(NE)-N-(7-bromo-3,3-dimethyl-2,4-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
SMILESCC1(C)C/C(=N\S(=O)C(C)(C)C)c2cc(Br)ccc2C1
InChIInChI=1S/C16H22BrNOS/c1-15(2,3)20(19)18-14-10-16(4,5)9-11-6-7-12(17)8-13(11)14/h6-8H,9-10H2,1-5H3/b18-14+
InChIKeyNHZXKJFOMGIZQD-NBVRZTHBSA-N
XLogP4.67
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 54.67
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 (NE)-N-(7-bromo-3,3-dimethyl-2,4-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE)-N-(7-bromo-3,3-dimethyl-2,4-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide (CID 71624916) is (NE)-N-(7-bromo-3,3-dimethyl-2,4-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE)-N-(7-bromo-3,3-dimethyl-2,4-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE)-N-(7-bromo-3,3-dimethyl-2,4-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide is CC1(C)C/C(=N\S(=O)C(C)(C)C)c2cc(Br)ccc2C1.
What is the InChIKey of (NE)-N-(7-bromo-3,3-dimethyl-2,4-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide?
The InChIKey is NHZXKJFOMGIZQD-NBVRZTHBSA-N. The full InChI is InChI=1S/C16H22BrNOS/c1-15(2,3)20(19)18-14-10-16(4,5)9-11-6-7-12(17)8-13(11)14/h6-8H,9-10H2,1-5H3/b18-14+.
What are the key properties of (NE)-N-(7-bromo-3,3-dimethyl-2,4-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide?
(NE)-N-(7-bromo-3,3-dimethyl-2,4-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide has a molecular weight of 356.33 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(7-bromo-3,3-dimethyl-2,4-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 71624916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).