(2S)-4-benzylsulfonyl-2-pyrazin-2-ylmorpholine

C15H17N3O3S — CID 124960004

IUPAC(2S)-4-benzylsulfonyl-2-pyrazin-2-ylmorpholine
SMILESO=S(=O)(Cc1ccccc1)N1CCO[C@H](c2cnccn2)C1
InChIInChI=1S/C15H17N3O3S/c19-22(20,12-13-4-2-1-3-5-13)18-8-9-21-15(11-18)14-10-16-6-7-17-14/h1-7,10,15H,8-9,11-12H2/t15-/m0/s1
InChIKeyGRMOFAGSYGEEHG-HNNXBMFYSA-N
MW319.39 g/mol
LogP1.38
Rot. Bonds4

About (2S)-4-benzylsulfonyl-2-pyrazin-2-ylmorpholine

(2S)-4-benzylsulfonyl-2-pyrazin-2-ylmorpholine (PubChem CID 124960004) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is (2S)-4-benzylsulfonyl-2-pyrazin-2-ylmorpholine.

Molecular Properties

Compound Name(2S)-4-benzylsulfonyl-2-pyrazin-2-ylmorpholine
PubChem CID124960004
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name(2S)-4-benzylsulfonyl-2-pyrazin-2-ylmorpholine
SMILESO=S(=O)(Cc1ccccc1)N1CCO[C@H](c2cnccn2)C1
InChIInChI=1S/C15H17N3O3S/c19-22(20,12-13-4-2-1-3-5-13)18-8-9-21-15(11-18)14-10-16-6-7-17-14/h1-7,10,15H,8-9,11-12H2/t15-/m0/s1
InChIKeyGRMOFAGSYGEEHG-HNNXBMFYSA-N
XLogP1.38
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-4-benzylsulfonyl-2-pyrazin-2-ylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-4-benzylsulfonyl-2-pyrazin-2-ylmorpholine
CID 124960005
4-(2-fluorophenyl)sulfonyl-2-pyrazin-2-ylmorpholine
CID 127246296
4-benzylsulfonyl-2-(4-bromophenyl)morpholine
CID 47958795
(2R)-2-pyrazin-2-yl-4-thiophen-2-ylsulfonylmorpholine
CID 124961088
2-pyrazin-2-yl-4-thiophen-2-ylsulfonylmorpholine
CID 127246278
4-[(4-fluorophenyl)methylsulfonyl]-2-phenylmorpholine
CID 16895302
2-benzyl-4-benzylsulfonylmorpholine
CID 71801614
4-(3-fluorophenyl)sulfonyl-2-pyrazin-2-ylmorpholine
CID 127246297
(2R)-4-(3-fluorophenyl)sulfonyl-2-pyrazin-2-ylmorpholine
CID 124978418
2-(1-benzylsulfonylpyrrolidin-2-yl)pyrazine
CID 110096230
N-[6-[4-[(2-chlorophenyl)methylsulfonyl]morpholin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 110093032
4-[(4-methoxyphenyl)methylsulfonyl]-2-phenylmorpholine
CID 16895307

Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzylsulfonyl-2-pyrazin-2-ylmorpholine?
The IUPAC name of (2S)-4-benzylsulfonyl-2-pyrazin-2-ylmorpholine (CID 124960004) is (2S)-4-benzylsulfonyl-2-pyrazin-2-ylmorpholine.
What is the SMILES notation for (2S)-4-benzylsulfonyl-2-pyrazin-2-ylmorpholine?
The canonical SMILES for (2S)-4-benzylsulfonyl-2-pyrazin-2-ylmorpholine is O=S(=O)(Cc1ccccc1)N1CCO[C@H](c2cnccn2)C1.
What is the InChIKey of (2S)-4-benzylsulfonyl-2-pyrazin-2-ylmorpholine?
The InChIKey is GRMOFAGSYGEEHG-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c19-22(20,12-13-4-2-1-3-5-13)18-8-9-21-15(11-18)14-10-16-6-7-17-14/h1-7,10,15H,8-9,11-12H2/t15-/m0/s1.
What are the key properties of (2S)-4-benzylsulfonyl-2-pyrazin-2-ylmorpholine?
(2S)-4-benzylsulfonyl-2-pyrazin-2-ylmorpholine has a molecular weight of 319.39 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzylsulfonyl-2-pyrazin-2-ylmorpholine is sourced from PubChem (CID 124960004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).