N-(6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide

C17H20BrNOS — CID 149164710

IUPACN-(6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=C1C2c3cc(Br)ccc3CC3(CC3)C12
InChIInChI=1S/C17H20BrNOS/c1-16(2,3)21(20)19-15-13-12-8-11(18)5-4-10(12)9-17(6-7-17)14(13)15/h4-5,8,13-14H,6-7,9H2,1-3H3
InChIKeyWXWUNCIDMFDKNE-UHFFFAOYSA-N
MW366.32 g/mol
LogP4.40
Rot. Bonds1

About N-(6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide

N-(6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide (PubChem CID 149164710) has the molecular formula C17H20BrNOS and a molecular weight of 366.32 g/mol. Its IUPAC name is N-(6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-(6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide
PubChem CID149164710
Molecular FormulaC17H20BrNOS
Molecular Weight366.32 g/mol
Exact Mass365.04
IUPAC NameN-(6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=C1C2c3cc(Br)ccc3CC3(CC3)C12
InChIInChI=1S/C17H20BrNOS/c1-16(2,3)21(20)19-15-13-12-8-11(18)5-4-10(12)9-17(6-7-17)14(13)15/h4-5,8,13-14H,6-7,9H2,1-3H3
InChIKeyWXWUNCIDMFDKNE-UHFFFAOYSA-N
XLogP4.40
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 54.40
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[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide (CID 149164710) is N-(6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-(6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N=C1C2c3cc(Br)ccc3CC3(CC3)C12.
What is the InChIKey of N-(6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide?
The InChIKey is WXWUNCIDMFDKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNOS/c1-16(2,3)21(20)19-15-13-12-8-11(18)5-4-10(12)9-17(6-7-17)14(13)15/h4-5,8,13-14H,6-7,9H2,1-3H3.
What are the key properties of N-(6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide?
N-(6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide has a molecular weight of 366.32 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 149164710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).