(2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine

C17H23N3O3S — CID 99827504

IUPAC(2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
SMILESCCc1ccccc1S(=O)(=O)N1CCO[C@H](c2cnn(CC)c2)C1
InChIInChI=1S/C17H23N3O3S/c1-3-14-7-5-6-8-17(14)24(21,22)20-9-10-23-16(13-20)15-11-18-19(4-2)12-15/h5-8,11-12,16H,3-4,9-10,13H2,1-2H3/t16-/m0/s1
InChIKeyNUQPZGQGKLUJJA-INIZCTEOSA-N
MW349.46 g/mol
LogP2.23
Rot. Bonds5

About (2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine

(2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine (PubChem CID 99827504) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is (2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
PubChem CID99827504
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name(2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
SMILESCCc1ccccc1S(=O)(=O)N1CCO[C@H](c2cnn(CC)c2)C1
InChIInChI=1S/C17H23N3O3S/c1-3-14-7-5-6-8-17(14)24(21,22)20-9-10-23-16(13-20)15-11-18-19(4-2)12-15/h5-8,11-12,16H,3-4,9-10,13H2,1-2H3/t16-/m0/s1
InChIKeyNUQPZGQGKLUJJA-INIZCTEOSA-N
XLogP2.23
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-4-[3-(3-phenylpropoxy)pyrrolidin-1-yl]sulfonylpyrazole
CID 71860561
3-(1-Ethylpyrazol-4-yl)sulfonyl-7-(3-methylphenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
CID 53165001
(2S,6R)-2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methyl-4-(4-methylphenyl)sulfonylmorpholine
CID 166121569
(2S,6R)-2-(5-fluoro-1H-pyrazol-4-yl)-6-methyl-4-(4-methylphenyl)sulfonylmorpholine
CID 166121833
(2S,6R)-2-[1-(difluoromethyl)pyrazol-4-yl]-6-methyl-4-(4-methylphenyl)sulfanylmorpholine
CID 166122183
6-(1-Cyclopropylpyrazol-4-yl)-2-(difluoromethyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-oxazine
CID 166122452
2-Cyclopropyl-6-[1-(difluoromethyl)pyrazol-4-yl]-4-(4-methylphenyl)sulfonylmorpholine
CID 166122770
(2S,6R)-2-[1-(difluoromethyl)pyrazol-4-yl]-6-methyl-4-(4-methylphenyl)sulfonylmorpholine
CID 166122905
2-(1-Cyclopropylpyrazol-4-yl)-6-(difluoromethyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 166122924
6-(1-Cyclopropylpyrazol-4-yl)-2-(difluoromethyl)-4-(4-methylphenyl)sulfinyl-2,3-dihydro-1,4-oxazine
CID 166122941
(2R,6S)-2-cyclopropyl-6-[1-(difluoromethyl)pyrazol-4-yl]-4-(4-methylphenyl)sulfonylmorpholine
CID 166123321
2-[1-(Difluoromethyl)pyrazol-4-yl]-6-methyl-4-(4-methylphenyl)sulfonylmorpholine
CID 169784802

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine?
The IUPAC name of (2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine (CID 99827504) is (2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine.
What is the SMILES notation for (2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine?
The canonical SMILES for (2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine is CCc1ccccc1S(=O)(=O)N1CCO[C@H](c2cnn(CC)c2)C1.
What is the InChIKey of (2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine?
The InChIKey is NUQPZGQGKLUJJA-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-3-14-7-5-6-8-17(14)24(21,22)20-9-10-23-16(13-20)15-11-18-19(4-2)12-15/h5-8,11-12,16H,3-4,9-10,13H2,1-2H3/t16-/m0/s1.
What are the key properties of (2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine?
(2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine has a molecular weight of 349.46 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine is sourced from PubChem (CID 99827504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).