N-(7-bromo-4-methyl-2,3-dihydrochromen-4-yl)-2-methylpropane-2-sulfinamide

C14H20BrNO2S — CID 178039158

IUPACN-(7-bromo-4-methyl-2,3-dihydrochromen-4-yl)-2-methylpropane-2-sulfinamide
SMILESCC1(NS(=O)C(C)(C)C)CCOc2cc(Br)ccc21
InChIInChI=1S/C14H20BrNO2S/c1-13(2,3)19(17)16-14(4)7-8-18-12-9-10(15)5-6-11(12)14/h5-6,9,16H,7-8H2,1-4H3
InChIKeyCABPRGGTKCENOU-UHFFFAOYSA-N
MW346.29 g/mol
LogP3.50
Rot. Bonds2

About N-(7-bromo-4-methyl-2,3-dihydrochromen-4-yl)-2-methylpropane-2-sulfinamide

N-(7-bromo-4-methyl-2,3-dihydrochromen-4-yl)-2-methylpropane-2-sulfinamide (PubChem CID 178039158) has the molecular formula C14H20BrNO2S and a molecular weight of 346.29 g/mol. Its IUPAC name is N-(7-bromo-4-methyl-2,3-dihydrochromen-4-yl)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-(7-bromo-4-methyl-2,3-dihydrochromen-4-yl)-2-methylpropane-2-sulfinamide
PubChem CID178039158
Molecular FormulaC14H20BrNO2S
Molecular Weight346.29 g/mol
Exact Mass345.04
IUPAC NameN-(7-bromo-4-methyl-2,3-dihydrochromen-4-yl)-2-methylpropane-2-sulfinamide
SMILESCC1(NS(=O)C(C)(C)C)CCOc2cc(Br)ccc21
InChIInChI=1S/C14H20BrNO2S/c1-13(2,3)19(17)16-14(4)7-8-18-12-9-10(15)5-6-11(12)14/h5-6,9,16H,7-8H2,1-4H3
InChIKeyCABPRGGTKCENOU-UHFFFAOYSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-bromo-2-chlorophenyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide
CID 130407805
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2-methylpropane-2-sulfinamide;ethane
CID 159222106
7'-bromospiro[1,3-dioxolane-2,4'-2,3-dihydrochromene]
CID 18996063
7-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine]
CID 82625303
6-bromo-4-methyl-2,3-dihydrochromene-4-carboxylic acid
CID 84730081
(4S)-7-bromo-4-trimethylsilyloxy-2,3-dihydrochromene-4-carbonitrile
CID 124674921
N-(6-bromo-1-ethenyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-yl)-2-methylpropane-2-sulfinamide
CID 131741307
ethyl 2-[(1R)-6-bromo-1-(tert-butylsulfinylamino)-2,3-dihydroinden-1-yl]-2,2-difluoroacetate
CID 71059492
(S)-N-[(4S)-4-[2-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-2-methylpropane-2-sulfinamide
CID 90039243
N-(6-bromospiro[2,3-dihydro-1H-naphthalene-4,3'-cyclopropene]-1'-yl)-2-methylpropane-2-sulfinamide
CID 123278915
ethyl 2-[(4R)-6-bromo-4-[[(S)-tert-butylsulfinyl]amino]spiro[3H-chromene-2,3'-oxane]-4-yl]-2,2-difluoroacetate
CID 163809707
ethyl 7-bromo-4-hydroxy-2,3-dihydrochromene-4-carboximidate
CID 118957466

Frequently Asked Questions

What is the IUPAC name of N-(7-bromo-4-methyl-2,3-dihydrochromen-4-yl)-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(7-bromo-4-methyl-2,3-dihydrochromen-4-yl)-2-methylpropane-2-sulfinamide (CID 178039158) is N-(7-bromo-4-methyl-2,3-dihydrochromen-4-yl)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-(7-bromo-4-methyl-2,3-dihydrochromen-4-yl)-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(7-bromo-4-methyl-2,3-dihydrochromen-4-yl)-2-methylpropane-2-sulfinamide is CC1(NS(=O)C(C)(C)C)CCOc2cc(Br)ccc21.
What is the InChIKey of N-(7-bromo-4-methyl-2,3-dihydrochromen-4-yl)-2-methylpropane-2-sulfinamide?
The InChIKey is CABPRGGTKCENOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2S/c1-13(2,3)19(17)16-14(4)7-8-18-12-9-10(15)5-6-11(12)14/h5-6,9,16H,7-8H2,1-4H3.
What are the key properties of N-(7-bromo-4-methyl-2,3-dihydrochromen-4-yl)-2-methylpropane-2-sulfinamide?
N-(7-bromo-4-methyl-2,3-dihydrochromen-4-yl)-2-methylpropane-2-sulfinamide has a molecular weight of 346.29 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bromo-4-methyl-2,3-dihydrochromen-4-yl)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 178039158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).