(2S)-4-(2-ethylsulfonylphenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine

C15H20N4O3S — CID 124882973

IUPAC(2S)-4-(2-ethylsulfonylphenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine
SMILESCCS(=O)(=O)c1ccccc1N1CCO[C@H](c2n[nH]c(C)n2)C1
InChIInChI=1S/C15H20N4O3S/c1-3-23(20,21)14-7-5-4-6-12(14)19-8-9-22-13(10-19)15-16-11(2)17-18-15/h4-7,13H,3,8-10H2,1-2H3,(H,16,17,18)/t13-/m0/s1
InChIKeyZTXOCFSMRBXMLO-ZDUSSCGKSA-N
MW336.42 g/mol
LogP1.48
Rot. Bonds4

About (2S)-4-(2-ethylsulfonylphenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine

(2S)-4-(2-ethylsulfonylphenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine (PubChem CID 124882973) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is (2S)-4-(2-ethylsulfonylphenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-(2-ethylsulfonylphenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine
PubChem CID124882973
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name(2S)-4-(2-ethylsulfonylphenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine
SMILESCCS(=O)(=O)c1ccccc1N1CCO[C@H](c2n[nH]c(C)n2)C1
InChIInChI=1S/C15H20N4O3S/c1-3-23(20,21)14-7-5-4-6-12(14)19-8-9-22-13(10-19)15-16-11(2)17-18-15/h4-7,13H,3,8-10H2,1-2H3,(H,16,17,18)/t13-/m0/s1
InChIKeyZTXOCFSMRBXMLO-ZDUSSCGKSA-N
XLogP1.48
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2-ethylsulfonylphenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of (2S)-4-(2-ethylsulfonylphenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine (CID 124882973) is (2S)-4-(2-ethylsulfonylphenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for (2S)-4-(2-ethylsulfonylphenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for (2S)-4-(2-ethylsulfonylphenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine is CCS(=O)(=O)c1ccccc1N1CCO[C@H](c2n[nH]c(C)n2)C1.
What is the InChIKey of (2S)-4-(2-ethylsulfonylphenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine?
The InChIKey is ZTXOCFSMRBXMLO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-3-23(20,21)14-7-5-4-6-12(14)19-8-9-22-13(10-19)15-16-11(2)17-18-15/h4-7,13H,3,8-10H2,1-2H3,(H,16,17,18)/t13-/m0/s1.
What are the key properties of (2S)-4-(2-ethylsulfonylphenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine?
(2S)-4-(2-ethylsulfonylphenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine has a molecular weight of 336.42 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2-ethylsulfonylphenyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 124882973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).