2-methyl-1-[4-(4-methylphenyl)sulfonyl-2,3-dihydropyrazin-1-yl]propan-1-one

C15H20N2O3S — CID 71601002

IUPAC2-methyl-1-[4-(4-methylphenyl)sulfonyl-2,3-dihydropyrazin-1-yl]propan-1-one
SMILESCc1ccc(S(=O)(=O)N2C=CN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C15H20N2O3S/c1-12(2)15(18)16-8-10-17(11-9-16)21(19,20)14-6-4-13(3)5-7-14/h4-8,10,12H,9,11H2,1-3H3
InChIKeySTEVBBIEBSWFCY-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.96
Rot. Bonds3

About 2-methyl-1-[4-(4-methylphenyl)sulfonyl-2,3-dihydropyrazin-1-yl]propan-1-one

2-methyl-1-[4-(4-methylphenyl)sulfonyl-2,3-dihydropyrazin-1-yl]propan-1-one (PubChem CID 71601002) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-methyl-1-[4-(4-methylphenyl)sulfonyl-2,3-dihydropyrazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(4-methylphenyl)sulfonyl-2,3-dihydropyrazin-1-yl]propan-1-one
PubChem CID71601002
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name2-methyl-1-[4-(4-methylphenyl)sulfonyl-2,3-dihydropyrazin-1-yl]propan-1-one
SMILESCc1ccc(S(=O)(=O)N2C=CN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C15H20N2O3S/c1-12(2)15(18)16-8-10-17(11-9-16)21(19,20)14-6-4-13(3)5-7-14/h4-8,10,12H,9,11H2,1-3H3
InChIKeySTEVBBIEBSWFCY-UHFFFAOYSA-N
XLogP1.96
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2Z,5Z,8Z)-1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonine
CID 12599640
2-methyl-1-[8-(4-methylphenyl)sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]propan-1-one
CID 3540254
(2R)-N,N-dimethyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8691966
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 26202318
2-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]propanoic acid
CID 10589806
1-(4-methylphenyl)sulfonyl-4-propan-2-ylpiperazin-4-ium
CID 4743157
2-[1-(4-methylphenyl)sulfonylazetidin-3-yl]propanoic acid
CID 116681735
1-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazol-1-ium chloride
CID 71357438
1-[1-(4-methylphenyl)sulfonyl-4-(2-oxopropyl)pyrrol-3-yl]propan-2-one
CID 71680984
dipropan-2-yl 1-(4-methylphenyl)sulfonylpiperidine-4,4-dicarboxylate
CID 86811230
acetic acid;4-(4-methylphenyl)sulfonyl-1,3-dihydropyrazin-2-one
CID 143186284

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(4-methylphenyl)sulfonyl-2,3-dihydropyrazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(4-methylphenyl)sulfonyl-2,3-dihydropyrazin-1-yl]propan-1-one (CID 71601002) is 2-methyl-1-[4-(4-methylphenyl)sulfonyl-2,3-dihydropyrazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(4-methylphenyl)sulfonyl-2,3-dihydropyrazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(4-methylphenyl)sulfonyl-2,3-dihydropyrazin-1-yl]propan-1-one is Cc1ccc(S(=O)(=O)N2C=CN(C(=O)C(C)C)CC2)cc1.
What is the InChIKey of 2-methyl-1-[4-(4-methylphenyl)sulfonyl-2,3-dihydropyrazin-1-yl]propan-1-one?
The InChIKey is STEVBBIEBSWFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-12(2)15(18)16-8-10-17(11-9-16)21(19,20)14-6-4-13(3)5-7-14/h4-8,10,12H,9,11H2,1-3H3.
What are the key properties of 2-methyl-1-[4-(4-methylphenyl)sulfonyl-2,3-dihydropyrazin-1-yl]propan-1-one?
2-methyl-1-[4-(4-methylphenyl)sulfonyl-2,3-dihydropyrazin-1-yl]propan-1-one has a molecular weight of 308.40 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(4-methylphenyl)sulfonyl-2,3-dihydropyrazin-1-yl]propan-1-one is sourced from PubChem (CID 71601002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).