(R)-N-[(1R)-1-[8-bromo-6-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-methylpropane-2-sulfinamide

C15H21BrFN3OS — CID 165133007

IUPAC(R)-N-[(1R)-1-[8-bromo-6-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(F)c1cc(Br)c2nc([C@@H](C)N[S@](=O)C(C)(C)C)cn2c1
InChIInChI=1S/C15H21BrFN3OS/c1-9(17)11-6-12(16)14-18-13(8-20(14)7-11)10(2)19-22(21)15(3,4)5/h6-10,19H,1-5H3/t9?,10-,22-/m1/s1
InChIKeyHQROYLYPFYISJU-UILODTLQSA-N
MW390.32 g/mol
LogP4.24
Rot. Bonds4

About (R)-N-[(1R)-1-[8-bromo-6-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-1-[8-bromo-6-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 165133007) has the molecular formula C15H21BrFN3OS and a molecular weight of 390.32 g/mol. Its IUPAC name is (R)-N-[(1R)-1-[8-bromo-6-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-1-[8-bromo-6-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID165133007
Molecular FormulaC15H21BrFN3OS
Molecular Weight390.32 g/mol
Exact Mass389.06
IUPAC Name(R)-N-[(1R)-1-[8-bromo-6-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(F)c1cc(Br)c2nc([C@@H](C)N[S@](=O)C(C)(C)C)cn2c1
InChIInChI=1S/C15H21BrFN3OS/c1-9(17)11-6-12(16)14-18-13(8-20(14)7-11)10(2)19-22(21)15(3,4)5/h6-10,19H,1-5H3/t9?,10-,22-/m1/s1
InChIKeyHQROYLYPFYISJU-UILODTLQSA-N
XLogP4.24
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-N-[(1S)-1-(4-bromo-2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 90347558
(S)-N-[(1R)-1-(5-bromo-4-methyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 125498989
(R)-N-[(1S)-1-(4-bromo-3-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 176890367
N-[1-(5-bromo-1-methyl-2-oxo-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 122588655
(S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 86732639
[[(1R)-1-[8-bromo-6-(fluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]-tert-butyl-oxidosulfanium
CID 175615677
N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 86640807
(S)-N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 118582712
(R)-N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 59278411
(R)-N-[(1R)-1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 163278122
(R)-2-methyl-N-[(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]propane-2-sulfinamide
CID 121397426
(R)-2-methyl-N-[(1R)-1-(1,3-oxazol-4-yl)ethyl]propane-2-sulfinamide
CID 129387650

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-[8-bromo-6-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-1-[8-bromo-6-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-methylpropane-2-sulfinamide (CID 165133007) is (R)-N-[(1R)-1-[8-bromo-6-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-1-[8-bromo-6-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-1-[8-bromo-6-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-methylpropane-2-sulfinamide is CC(F)c1cc(Br)c2nc([C@@H](C)N[S@](=O)C(C)(C)C)cn2c1.
What is the InChIKey of (R)-N-[(1R)-1-[8-bromo-6-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is HQROYLYPFYISJU-UILODTLQSA-N. The full InChI is InChI=1S/C15H21BrFN3OS/c1-9(17)11-6-12(16)14-18-13(8-20(14)7-11)10(2)19-22(21)15(3,4)5/h6-10,19H,1-5H3/t9?,10-,22-/m1/s1.
What are the key properties of (R)-N-[(1R)-1-[8-bromo-6-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-1-[8-bromo-6-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 390.32 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-1-[8-bromo-6-(1-fluoroethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 165133007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).