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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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).