(2R)-2-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine

C16H21N3O3S — CID 97355045

IUPAC(2R)-2-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C16H21N3O3S/c1-12-16(13(2)18(3)17-12)23(20,21)19-9-10-22-15(11-19)14-7-5-4-6-8-14/h4-8,15H,9-11H2,1-3H3/t15-/m0/s1
InChIKeyQTTWJCUPXAMBBU-HNNXBMFYSA-N
MW335.43 g/mol
LogP1.80
Rot. Bonds3

About (2R)-2-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine

(2R)-2-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine (PubChem CID 97355045) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is (2R)-2-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine.

Molecular Properties

Compound Name(2R)-2-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine
PubChem CID97355045
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name(2R)-2-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C16H21N3O3S/c1-12-16(13(2)18(3)17-12)23(20,21)19-9-10-22-15(11-19)14-7-5-4-6-8-14/h4-8,15H,9-11H2,1-3H3/t15-/m0/s1
InChIKeyQTTWJCUPXAMBBU-HNNXBMFYSA-N
XLogP1.80
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine?
The IUPAC name of (2R)-2-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine (CID 97355045) is (2R)-2-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine.
What is the SMILES notation for (2R)-2-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine?
The canonical SMILES for (2R)-2-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine is Cc1nn(C)c(C)c1S(=O)(=O)N1CCO[C@H](c2ccccc2)C1.
What is the InChIKey of (2R)-2-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine?
The InChIKey is QTTWJCUPXAMBBU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-12-16(13(2)18(3)17-12)23(20,21)19-9-10-22-15(11-19)14-7-5-4-6-8-14/h4-8,15H,9-11H2,1-3H3/t15-/m0/s1.
What are the key properties of (2R)-2-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine?
(2R)-2-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine has a molecular weight of 335.43 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine is sourced from PubChem (CID 97355045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).