2-methyl-5-[(3S)-3-methylsulfonylbut-1-en-2-yl]pyrazine

C10H14N2O2S — CID 145190947

IUPAC2-methyl-5-[(3S)-3-methylsulfonylbut-1-en-2-yl]pyrazine
SMILESC=C(c1cnc(C)cn1)[C@H](C)S(C)(=O)=O
InChIInChI=1S/C10H14N2O2S/c1-7-5-12-10(6-11-7)8(2)9(3)15(4,13)14/h5-6,9H,2H2,1,3-4H3/t9-/m0/s1
InChIKeyRVSUHLCXWUOZJN-VIFPVBQESA-N
MW226.30 g/mol
LogP1.23
Rot. Bonds3

About 2-methyl-5-[(3S)-3-methylsulfonylbut-1-en-2-yl]pyrazine

2-methyl-5-[(3S)-3-methylsulfonylbut-1-en-2-yl]pyrazine (PubChem CID 145190947) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-methyl-5-[(3S)-3-methylsulfonylbut-1-en-2-yl]pyrazine.

Molecular Properties

Compound Name2-methyl-5-[(3S)-3-methylsulfonylbut-1-en-2-yl]pyrazine
PubChem CID145190947
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-methyl-5-[(3S)-3-methylsulfonylbut-1-en-2-yl]pyrazine
SMILESC=C(c1cnc(C)cn1)[C@H](C)S(C)(=O)=O
InChIInChI=1S/C10H14N2O2S/c1-7-5-12-10(6-11-7)8(2)9(3)15(4,13)14/h5-6,9H,2H2,1,3-4H3/t9-/m0/s1
InChIKeyRVSUHLCXWUOZJN-VIFPVBQESA-N
XLogP1.23
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-prop-1-en-2-ylpyrazine
CID 22151788
3-methyl-1-(5-methylpyrazin-2-yl)but-3-en-1-one
CID 105112464
2-hydroxy-1-(5-methylpyrazin-2-yl)ethanone
CID 121394382
N-[[4-(dimethylamino)phenyl]-methyl-oxo-λ6-sulfanylidene]-5-methylpyrazine-2-carboxamide
CID 126841044
cyclopropyl-(5-methylpyrazin-2-yl)methanone
CID 118508128
5-methylpyrazine-2-carboxylic acid;1,4-xylene
CID 174881923
2,5-dimethylpyrazine;hydrochloride
CID 160725136
2,5-dimethylpyrazine;ethane
CID 143125119
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 2637976
(1-oxo-1-phenylpropan-2-yl) 5-methylpyrazine-2-carboxylate
CID 16578129
(E)-1-(5-methylpyrazin-2-yl)but-2-en-1-one
CID 126657356
[2-[2-[[2-(5-methylpyrazine-2-carbonyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 16524473

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3S)-3-methylsulfonylbut-1-en-2-yl]pyrazine?
The IUPAC name of 2-methyl-5-[(3S)-3-methylsulfonylbut-1-en-2-yl]pyrazine (CID 145190947) is 2-methyl-5-[(3S)-3-methylsulfonylbut-1-en-2-yl]pyrazine.
What is the SMILES notation for 2-methyl-5-[(3S)-3-methylsulfonylbut-1-en-2-yl]pyrazine?
The canonical SMILES for 2-methyl-5-[(3S)-3-methylsulfonylbut-1-en-2-yl]pyrazine is C=C(c1cnc(C)cn1)[C@H](C)S(C)(=O)=O.
What is the InChIKey of 2-methyl-5-[(3S)-3-methylsulfonylbut-1-en-2-yl]pyrazine?
The InChIKey is RVSUHLCXWUOZJN-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7-5-12-10(6-11-7)8(2)9(3)15(4,13)14/h5-6,9H,2H2,1,3-4H3/t9-/m0/s1.
What are the key properties of 2-methyl-5-[(3S)-3-methylsulfonylbut-1-en-2-yl]pyrazine?
2-methyl-5-[(3S)-3-methylsulfonylbut-1-en-2-yl]pyrazine has a molecular weight of 226.30 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3S)-3-methylsulfonylbut-1-en-2-yl]pyrazine is sourced from PubChem (CID 145190947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).