4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine

C16H19N3O3S — CID 127246320

IUPAC4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine
SMILESCS(=O)(=O)c1ccc(CN2CCOC(c3cnccn3)C2)cc1
InChIInChI=1S/C16H19N3O3S/c1-23(20,21)14-4-2-13(3-5-14)11-19-8-9-22-16(12-19)15-10-17-6-7-18-15/h2-7,10,16H,8-9,11-12H2,1H3
InChIKeyDJWDSYQRXQJGEJ-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.45
Rot. Bonds4

About 4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine

4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine (PubChem CID 127246320) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine.

Molecular Properties

Compound Name4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine
PubChem CID127246320
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine
SMILESCS(=O)(=O)c1ccc(CN2CCOC(c3cnccn3)C2)cc1
InChIInChI=1S/C16H19N3O3S/c1-23(20,21)14-4-2-13(3-5-14)11-19-8-9-22-16(12-19)15-10-17-6-7-18-15/h2-7,10,16H,8-9,11-12H2,1H3
InChIKeyDJWDSYQRXQJGEJ-UHFFFAOYSA-N
XLogP1.45
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine?
The IUPAC name of 4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine (CID 127246320) is 4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine.
What is the SMILES notation for 4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine?
The canonical SMILES for 4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine is CS(=O)(=O)c1ccc(CN2CCOC(c3cnccn3)C2)cc1.
What is the InChIKey of 4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine?
The InChIKey is DJWDSYQRXQJGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-23(20,21)14-4-2-13(3-5-14)11-19-8-9-22-16(12-19)15-10-17-6-7-18-15/h2-7,10,16H,8-9,11-12H2,1H3.
What are the key properties of 4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine?
4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine has a molecular weight of 333.41 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine is sourced from PubChem (CID 127246320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).