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

C16H19N3O3S — CID 124951754

IUPAC(2S)-4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine
SMILESCS(=O)(=O)c1ccc(CN2CCO[C@H](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/t16-/m0/s1
InChIKeyDJWDSYQRXQJGEJ-INIZCTEOSA-N
MW333.41 g/mol
LogP1.45
Rot. Bonds4

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

(2S)-4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine (PubChem CID 124951754) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is (2S)-4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine.

Molecular Properties

Compound Name(2S)-4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine
PubChem CID124951754
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name(2S)-4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine
SMILESCS(=O)(=O)c1ccc(CN2CCO[C@H](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/t16-/m0/s1
InChIKeyDJWDSYQRXQJGEJ-INIZCTEOSA-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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Related Compounds

4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine
CID 127246320
(2S)-2-(2-methylpyrimidin-4-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine
CID 124990207
(2R)-2-(4-methylpyrimidin-2-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine
CID 125025847
4-[(6-methyl-2-pyridinyl)methyl]-2-pyrazin-2-ylmorpholine
CID 110103190
(2S)-4-(1H-imidazol-2-ylmethyl)-2-pyrazin-2-ylmorpholine
CID 95842105
4-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylmorpholine
CID 110103183
(2S)-4-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine
CID 124972882
(2R)-4-benzylsulfonyl-2-pyrazin-2-ylmorpholine
CID 124960005
(2S)-4-benzylsulfonyl-2-pyrazin-2-ylmorpholine
CID 124960004
(2S)-4-[(2-methoxynaphthalen-1-yl)methyl]-2-pyrazin-2-ylmorpholine
CID 124954317
2-[2-[[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methyl]phenoxy]acetic acid
CID 124941248
4-[(3R)-1-[(4-methylsulfonylphenyl)methyl]piperidin-3-yl]pyrimidine
CID 124984221

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine?
The IUPAC name of (2S)-4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine (CID 124951754) is (2S)-4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine.
What is the SMILES notation for (2S)-4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine?
The canonical SMILES for (2S)-4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine is CS(=O)(=O)c1ccc(CN2CCO[C@H](c3cnccn3)C2)cc1.
What is the InChIKey of (2S)-4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine?
The InChIKey is DJWDSYQRXQJGEJ-INIZCTEOSA-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/t16-/m0/s1.
What are the key properties of (2S)-4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine?
(2S)-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 (2S)-4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine is sourced from PubChem (CID 124951754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).