N-(6-bromospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylidene)-2-methylpropane-2-sulfinamide

C16H20BrNOS — CID 163543829

IUPACN-(6-bromospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=C1CC12CCCc1ccc(Br)cc12
InChIInChI=1S/C16H20BrNOS/c1-15(2,3)20(19)18-14-10-16(14)8-4-5-11-6-7-12(17)9-13(11)16/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyFDIJHBLHNIGNNY-UHFFFAOYSA-N
MW354.31 g/mol
LogP4.33
Rot. Bonds1

About N-(6-bromospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylidene)-2-methylpropane-2-sulfinamide

N-(6-bromospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylidene)-2-methylpropane-2-sulfinamide (PubChem CID 163543829) has the molecular formula C16H20BrNOS and a molecular weight of 354.31 g/mol. Its IUPAC name is N-(6-bromospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylidene)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-(6-bromospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylidene)-2-methylpropane-2-sulfinamide
PubChem CID163543829
Molecular FormulaC16H20BrNOS
Molecular Weight354.31 g/mol
Exact Mass353.04
IUPAC NameN-(6-bromospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=C1CC12CCCc1ccc(Br)cc12
InChIInChI=1S/C16H20BrNOS/c1-15(2,3)20(19)18-14-10-16(14)8-4-5-11-6-7-12(17)9-13(11)16/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyFDIJHBLHNIGNNY-UHFFFAOYSA-N
XLogP4.33
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 54.33
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-bromospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylidene)-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(6-bromospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylidene)-2-methylpropane-2-sulfinamide (CID 163543829) is N-(6-bromospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylidene)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-(6-bromospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylidene)-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(6-bromospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylidene)-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N=C1CC12CCCc1ccc(Br)cc12.
What is the InChIKey of N-(6-bromospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylidene)-2-methylpropane-2-sulfinamide?
The InChIKey is FDIJHBLHNIGNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNOS/c1-15(2,3)20(19)18-14-10-16(14)8-4-5-11-6-7-12(17)9-13(11)16/h6-7,9H,4-5,8,10H2,1-3H3.
What are the key properties of N-(6-bromospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylidene)-2-methylpropane-2-sulfinamide?
N-(6-bromospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylidene)-2-methylpropane-2-sulfinamide has a molecular weight of 354.31 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylidene)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 163543829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).