N-(7-bromospiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide

C16H20BrNOS — CID 86706705

IUPACN-(7-bromospiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=C1c2cc(Br)ccc2CCC12CC2
InChIInChI=1S/C16H20BrNOS/c1-15(2,3)20(19)18-14-13-10-12(17)5-4-11(13)6-7-16(14)8-9-16/h4-5,10H,6-9H2,1-3H3
InChIKeyCGSAOKSPYHKUMF-UHFFFAOYSA-N
MW354.31 g/mol
LogP4.43
Rot. Bonds1

About N-(7-bromospiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide

N-(7-bromospiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide (PubChem CID 86706705) has the molecular formula C16H20BrNOS and a molecular weight of 354.31 g/mol. Its IUPAC name is N-(7-bromospiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-(7-bromospiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide
PubChem CID86706705
Molecular FormulaC16H20BrNOS
Molecular Weight354.31 g/mol
Exact Mass353.04
IUPAC NameN-(7-bromospiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=C1c2cc(Br)ccc2CCC12CC2
InChIInChI=1S/C16H20BrNOS/c1-15(2,3)20(19)18-14-13-10-12(17)5-4-11(13)6-7-16(14)8-9-16/h4-5,10H,6-9H2,1-3H3
InChIKeyCGSAOKSPYHKUMF-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
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-bromospiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(7-bromospiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide (CID 86706705) is N-(7-bromospiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-(7-bromospiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(7-bromospiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N=C1c2cc(Br)ccc2CCC12CC2.
What is the InChIKey of N-(7-bromospiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide?
The InChIKey is CGSAOKSPYHKUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNOS/c1-15(2,3)20(19)18-14-13-10-12(17)5-4-11(13)6-7-16(14)8-9-16/h4-5,10H,6-9H2,1-3H3.
What are the key properties of N-(7-bromospiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide?
N-(7-bromospiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide has a molecular weight of 354.31 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bromospiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 86706705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).