2-methyl-2-(1-methylpyrazol-4-yl)-4-(2-methylsulfonylphenyl)morpholine

C16H21N3O3S — CID 133365257

IUPAC2-methyl-2-(1-methylpyrazol-4-yl)-4-(2-methylsulfonylphenyl)morpholine
SMILESCn1cc(C2(C)CN(c3ccccc3S(C)(=O)=O)CCO2)cn1
InChIInChI=1S/C16H21N3O3S/c1-16(13-10-17-18(2)11-13)12-19(8-9-22-16)14-6-4-5-7-15(14)23(3,20)21/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyWSAOSLDWGMWKMZ-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.58
Rot. Bonds3

About 2-methyl-2-(1-methylpyrazol-4-yl)-4-(2-methylsulfonylphenyl)morpholine

2-methyl-2-(1-methylpyrazol-4-yl)-4-(2-methylsulfonylphenyl)morpholine (PubChem CID 133365257) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-methyl-2-(1-methylpyrazol-4-yl)-4-(2-methylsulfonylphenyl)morpholine.

Molecular Properties

Compound Name2-methyl-2-(1-methylpyrazol-4-yl)-4-(2-methylsulfonylphenyl)morpholine
PubChem CID133365257
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name2-methyl-2-(1-methylpyrazol-4-yl)-4-(2-methylsulfonylphenyl)morpholine
SMILESCn1cc(C2(C)CN(c3ccccc3S(C)(=O)=O)CCO2)cn1
InChIInChI=1S/C16H21N3O3S/c1-16(13-10-17-18(2)11-13)12-19(8-9-22-16)14-6-4-5-7-15(14)23(3,20)21/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyWSAOSLDWGMWKMZ-UHFFFAOYSA-N
XLogP1.58
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-methylpyrazol-4-yl)-4-(2-methylsulfonylphenyl)morpholine?
The IUPAC name of 2-methyl-2-(1-methylpyrazol-4-yl)-4-(2-methylsulfonylphenyl)morpholine (CID 133365257) is 2-methyl-2-(1-methylpyrazol-4-yl)-4-(2-methylsulfonylphenyl)morpholine.
What is the SMILES notation for 2-methyl-2-(1-methylpyrazol-4-yl)-4-(2-methylsulfonylphenyl)morpholine?
The canonical SMILES for 2-methyl-2-(1-methylpyrazol-4-yl)-4-(2-methylsulfonylphenyl)morpholine is Cn1cc(C2(C)CN(c3ccccc3S(C)(=O)=O)CCO2)cn1.
What is the InChIKey of 2-methyl-2-(1-methylpyrazol-4-yl)-4-(2-methylsulfonylphenyl)morpholine?
The InChIKey is WSAOSLDWGMWKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-16(13-10-17-18(2)11-13)12-19(8-9-22-16)14-6-4-5-7-15(14)23(3,20)21/h4-7,10-11H,8-9,12H2,1-3H3.
What are the key properties of 2-methyl-2-(1-methylpyrazol-4-yl)-4-(2-methylsulfonylphenyl)morpholine?
2-methyl-2-(1-methylpyrazol-4-yl)-4-(2-methylsulfonylphenyl)morpholine has a molecular weight of 335.43 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-methylpyrazol-4-yl)-4-(2-methylsulfonylphenyl)morpholine is sourced from PubChem (CID 133365257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).