(S)-N-[3-(5-bromopyrazin-2-yl)oxetan-3-yl]-2-methylpropane-2-sulfinamide

C11H16BrN3O2S — CID 176651060

IUPAC(S)-N-[3-(5-bromopyrazin-2-yl)oxetan-3-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)NC1(c2cnc(Br)cn2)COC1
InChIInChI=1S/C11H16BrN3O2S/c1-10(2,3)18(16)15-11(6-17-7-11)8-4-14-9(12)5-13-8/h4-5,15H,6-7H2,1-3H3/t18-/m0/s1
InChIKeyILCMSDGAZPLIDK-SFHVURJKSA-N
MW334.24 g/mol
LogP1.52
Rot. Bonds3

About (S)-N-[3-(5-bromopyrazin-2-yl)oxetan-3-yl]-2-methylpropane-2-sulfinamide

(S)-N-[3-(5-bromopyrazin-2-yl)oxetan-3-yl]-2-methylpropane-2-sulfinamide (PubChem CID 176651060) has the molecular formula C11H16BrN3O2S and a molecular weight of 334.24 g/mol. Its IUPAC name is (S)-N-[3-(5-bromopyrazin-2-yl)oxetan-3-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[3-(5-bromopyrazin-2-yl)oxetan-3-yl]-2-methylpropane-2-sulfinamide
PubChem CID176651060
Molecular FormulaC11H16BrN3O2S
Molecular Weight334.24 g/mol
Exact Mass333.01
IUPAC Name(S)-N-[3-(5-bromopyrazin-2-yl)oxetan-3-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)NC1(c2cnc(Br)cn2)COC1
InChIInChI=1S/C11H16BrN3O2S/c1-10(2,3)18(16)15-11(6-17-7-11)8-4-14-9(12)5-13-8/h4-5,15H,6-7H2,1-3H3/t18-/m0/s1
InChIKeyILCMSDGAZPLIDK-SFHVURJKSA-N
XLogP1.52
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (S)-N-[3-(5-bromopyrazin-2-yl)oxetan-3-yl]-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

2-methyl-N-(3-pyrimidin-2-yloxetan-3-yl)propane-2-sulfinamide
CID 67958161
N-[3-(4-bromo-2-chlorophenyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide
CID 130407805
2-methyl-N-(1-pyrazin-2-ylcyclobutyl)propane-2-sulfinamide
CID 134177525
2-methyl-N-[3-(4-methylsulfanylpyrimidin-2-yl)oxetan-3-yl]propane-2-sulfinamide
CID 166160366
N-[3-(3-chloro-2-fluorophenyl)oxetan-3-yl]-2-methylpropane-2-sulfinamide
CID 86673868
N-[1-(5-bromo-3-fluoro-2-pyridinyl)cyclopentyl]-2-methylpropane-2-sulfinamide
CID 131964205
2-[3-(tert-butylsulfinylamino)oxetan-3-yl]thiophene-3-carboxylic acid
CID 169025877
N-[1-(5-bromo-2-pyridinyl)-2-ethylcyclobutyl]-2-methylpropane-2-sulfinamide
CID 177154659
methyl 6-[3-(tert-butylsulfinylamino)oxetan-3-yl]-5-hydroxy-3-methylpyridine-2-carboxylate
CID 178150650
(S)-N-(3-cyanooxetan-3-yl)-2-methylpropane-2-sulfinamide
CID 124585701
N-[1-(5-bromo-3-fluoro-2-pyridinyl)-3-cyano-3-methylcyclobutyl]-2-methylpropane-2-sulfinamide
CID 146344950
N-tert-butylsulfanyl-3-pyrazin-2-yloxetan-3-amine
CID 134177650

Frequently Asked Questions

What is the IUPAC name of (S)-N-[3-(5-bromopyrazin-2-yl)oxetan-3-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[3-(5-bromopyrazin-2-yl)oxetan-3-yl]-2-methylpropane-2-sulfinamide (CID 176651060) is (S)-N-[3-(5-bromopyrazin-2-yl)oxetan-3-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[3-(5-bromopyrazin-2-yl)oxetan-3-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[3-(5-bromopyrazin-2-yl)oxetan-3-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)NC1(c2cnc(Br)cn2)COC1.
What is the InChIKey of (S)-N-[3-(5-bromopyrazin-2-yl)oxetan-3-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is ILCMSDGAZPLIDK-SFHVURJKSA-N. The full InChI is InChI=1S/C11H16BrN3O2S/c1-10(2,3)18(16)15-11(6-17-7-11)8-4-14-9(12)5-13-8/h4-5,15H,6-7H2,1-3H3/t18-/m0/s1.
What are the key properties of (S)-N-[3-(5-bromopyrazin-2-yl)oxetan-3-yl]-2-methylpropane-2-sulfinamide?
(S)-N-[3-(5-bromopyrazin-2-yl)oxetan-3-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 334.24 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[3-(5-bromopyrazin-2-yl)oxetan-3-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 176651060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).