[4-[(R)-methylsulfinyl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C16H18N4O2S — CID 33113092

IUPAC[4-[(R)-methylsulfinyl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESC[S@@](=O)c1ccc(C(=O)N2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C16H18N4O2S/c1-23(22)14-4-2-13(3-5-14)16(21)20-10-8-19(9-11-20)15-12-17-6-7-18-15/h2-7,12H,8-11H2,1H3/t23-/m1/s1
InChIKeyURVNUPRXTAXXCK-HSZRJFAPSA-N
MW330.41 g/mol
LogP1.18
Rot. Bonds3

About [4-[(R)-methylsulfinyl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

[4-[(R)-methylsulfinyl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 33113092) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is [4-[(R)-methylsulfinyl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(R)-methylsulfinyl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID33113092
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name[4-[(R)-methylsulfinyl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESC[S@@](=O)c1ccc(C(=O)N2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C16H18N4O2S/c1-23(22)14-4-2-13(3-5-14)16(21)20-10-8-19(9-11-20)15-12-17-6-7-18-15/h2-7,12H,8-11H2,1H3/t23-/m1/s1
InChIKeyURVNUPRXTAXXCK-HSZRJFAPSA-N
XLogP1.18
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chlorophenyl)-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone
CID 122132459
(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023194
[4-(6-methylpyridazin-3-yl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 119066291
[4-(2-methylpropyl)phenyl]-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone
CID 138378659
[6-(dimethylamino)-3-pyridinyl]-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone
CID 138378091
(4-ethoxy-3-methylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 86938426
2-methyl-3-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]quinazolin-4-one
CID 32646472
[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-[4-[(S)-methylsulfinyl]phenyl]methanone
CID 41429722
(2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023215
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
[(3S,4S)-3-hydroxy-4-(4-pyrazin-2-ylpiperazin-1-yl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 74229897
(1-phenylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024013

Frequently Asked Questions

What is the IUPAC name of [4-[(R)-methylsulfinyl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-[(R)-methylsulfinyl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 33113092) is [4-[(R)-methylsulfinyl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[(R)-methylsulfinyl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[(R)-methylsulfinyl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is C[S@@](=O)c1ccc(C(=O)N2CCN(c3cnccn3)CC2)cc1.
What is the InChIKey of [4-[(R)-methylsulfinyl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is URVNUPRXTAXXCK-HSZRJFAPSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-23(22)14-4-2-13(3-5-14)16(21)20-10-8-19(9-11-20)15-12-17-6-7-18-15/h2-7,12H,8-11H2,1H3/t23-/m1/s1.
What are the key properties of [4-[(R)-methylsulfinyl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
[4-[(R)-methylsulfinyl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 330.41 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(R)-methylsulfinyl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 33113092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).