(R)-N-(6-bromo-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide

C13H16BrNOS — CID 71078736

IUPAC(R)-N-(6-bromo-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=C1CCc2ccc(Br)cc21
InChIInChI=1S/C13H16BrNOS/c1-13(2,3)17(16)15-12-7-5-9-4-6-10(14)8-11(9)12/h4,6,8H,5,7H2,1-3H3/t17-/m1/s1
InChIKeyQMXBNWOPAZYHAM-QGZVFWFLSA-N
MW314.25 g/mol
LogP3.65
Rot. Bonds1

About (R)-N-(6-bromo-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide

(R)-N-(6-bromo-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide (PubChem CID 71078736) has the molecular formula C13H16BrNOS and a molecular weight of 314.25 g/mol. Its IUPAC name is (R)-N-(6-bromo-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-(6-bromo-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide
PubChem CID71078736
Molecular FormulaC13H16BrNOS
Molecular Weight314.25 g/mol
Exact Mass313.01
IUPAC Name(R)-N-(6-bromo-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=C1CCc2ccc(Br)cc21
InChIInChI=1S/C13H16BrNOS/c1-13(2,3)17(16)15-12-7-5-9-4-6-10(14)8-11(9)12/h4,6,8H,5,7H2,1-3H3/t17-/m1/s1
InChIKeyQMXBNWOPAZYHAM-QGZVFWFLSA-N
XLogP3.65
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (R)-N-(6-bromo-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NE,R)-N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
CID 89253723
N-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
CID 67979348
(R)-N-(6-bromo-2,3-dihydrothiochromen-4-ylidene)-2-methylpropane-2-sulfinamide
CID 71078808
(S)-N-(5-cyano-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide
CID 164874982
N-(6''-Bromodispiro[1,3-dioxolane-2,1'-cyclohexane-4',2''-inden]-1''(3'' H)-ylidene)-2-methylpropane-2-sulfinamide
CID 67979386
(NE,S)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
CID 166499695
(R)-N-(7-bromo-3,4-dihydronaphthalen-1-yl)-2-methylpropane-2-sulfinamide
CID 123469634
(NE)-N-[(2S)-6-bromo-2-[(2R,4R)-2,4-dimethylhexyl]-2,3-dihydroinden-1-ylidene]-2-methylpropane-2-sulfinamide
CID 144584305
N-(6-bromospiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclopropane]-1-ylidene)-2-methylpropane-2-sulfinamide
CID 149164710
(NZ)-N-(4-cyano-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide
CID 129225428
(R)-N-[1-(5-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 118305806
N-(5-bromospiro[1,3-dihydroindene-2,7'-5,6,8,9-tetrahydro-1H-benzo[7]annulene]-2'-ylidene)-2-methylpropane-2-sulfinamide
CID 67406024

Frequently Asked Questions

What is the IUPAC name of (R)-N-(6-bromo-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-(6-bromo-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide (CID 71078736) is (R)-N-(6-bromo-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-(6-bromo-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-(6-bromo-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N=C1CCc2ccc(Br)cc21.
What is the InChIKey of (R)-N-(6-bromo-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide?
The InChIKey is QMXBNWOPAZYHAM-QGZVFWFLSA-N. The full InChI is InChI=1S/C13H16BrNOS/c1-13(2,3)17(16)15-12-7-5-9-4-6-10(14)8-11(9)12/h4,6,8H,5,7H2,1-3H3/t17-/m1/s1.
What are the key properties of (R)-N-(6-bromo-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide?
(R)-N-(6-bromo-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide has a molecular weight of 314.25 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-(6-bromo-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 71078736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).