(2R)-2-(1-ethylpyrazol-4-yl)-4-(4-propylphenyl)sulfonylmorpholine

C18H25N3O3S — CID 99827489

IUPAC(2R)-2-(1-ethylpyrazol-4-yl)-4-(4-propylphenyl)sulfonylmorpholine
SMILESCCCc1ccc(S(=O)(=O)N2CCO[C@H](c3cnn(CC)c3)C2)cc1
InChIInChI=1S/C18H25N3O3S/c1-3-5-15-6-8-17(9-7-15)25(22,23)21-10-11-24-18(14-21)16-12-19-20(4-2)13-16/h6-9,12-13,18H,3-5,10-11,14H2,1-2H3/t18-/m0/s1
InChIKeyMVMAOTXUYUQJRY-SFHVURJKSA-N
MW363.48 g/mol
LogP2.62
Rot. Bonds6

About (2R)-2-(1-ethylpyrazol-4-yl)-4-(4-propylphenyl)sulfonylmorpholine

(2R)-2-(1-ethylpyrazol-4-yl)-4-(4-propylphenyl)sulfonylmorpholine (PubChem CID 99827489) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is (2R)-2-(1-ethylpyrazol-4-yl)-4-(4-propylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name(2R)-2-(1-ethylpyrazol-4-yl)-4-(4-propylphenyl)sulfonylmorpholine
PubChem CID99827489
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name(2R)-2-(1-ethylpyrazol-4-yl)-4-(4-propylphenyl)sulfonylmorpholine
SMILESCCCc1ccc(S(=O)(=O)N2CCO[C@H](c3cnn(CC)c3)C2)cc1
InChIInChI=1S/C18H25N3O3S/c1-3-5-15-6-8-17(9-7-15)25(22,23)21-10-11-24-18(14-21)16-12-19-20(4-2)13-16/h6-9,12-13,18H,3-5,10-11,14H2,1-2H3/t18-/m0/s1
InChIKeyMVMAOTXUYUQJRY-SFHVURJKSA-N
XLogP2.62
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-ethylpyrazol-4-yl)-4-(4-propylphenyl)sulfonylmorpholine?
The IUPAC name of (2R)-2-(1-ethylpyrazol-4-yl)-4-(4-propylphenyl)sulfonylmorpholine (CID 99827489) is (2R)-2-(1-ethylpyrazol-4-yl)-4-(4-propylphenyl)sulfonylmorpholine.
What is the SMILES notation for (2R)-2-(1-ethylpyrazol-4-yl)-4-(4-propylphenyl)sulfonylmorpholine?
The canonical SMILES for (2R)-2-(1-ethylpyrazol-4-yl)-4-(4-propylphenyl)sulfonylmorpholine is CCCc1ccc(S(=O)(=O)N2CCO[C@H](c3cnn(CC)c3)C2)cc1.
What is the InChIKey of (2R)-2-(1-ethylpyrazol-4-yl)-4-(4-propylphenyl)sulfonylmorpholine?
The InChIKey is MVMAOTXUYUQJRY-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-3-5-15-6-8-17(9-7-15)25(22,23)21-10-11-24-18(14-21)16-12-19-20(4-2)13-16/h6-9,12-13,18H,3-5,10-11,14H2,1-2H3/t18-/m0/s1.
What are the key properties of (2R)-2-(1-ethylpyrazol-4-yl)-4-(4-propylphenyl)sulfonylmorpholine?
(2R)-2-(1-ethylpyrazol-4-yl)-4-(4-propylphenyl)sulfonylmorpholine has a molecular weight of 363.48 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-ethylpyrazol-4-yl)-4-(4-propylphenyl)sulfonylmorpholine is sourced from PubChem (CID 99827489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).