(2S)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine

C11H16F3N3O3S — CID 95563535

IUPAC(2S)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine
SMILESCCn1ncc(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)c1C
InChIInChI=1S/C11H16F3N3O3S/c1-3-17-8(2)9(6-15-17)21(18,19)16-4-5-20-10(7-16)11(12,13)14/h6,10H,3-5,7H2,1-2H3/t10-/m0/s1
InChIKeyQESKAUZFXJNZIU-JTQLQIEISA-N
MW327.33 g/mol
LogP1.16
Rot. Bonds3

About (2S)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine

(2S)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine (PubChem CID 95563535) has the molecular formula C11H16F3N3O3S and a molecular weight of 327.33 g/mol. Its IUPAC name is (2S)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine
PubChem CID95563535
Molecular FormulaC11H16F3N3O3S
Molecular Weight327.33 g/mol
Exact Mass327.09
IUPAC Name(2S)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine
SMILESCCn1ncc(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)c1C
InChIInChI=1S/C11H16F3N3O3S/c1-3-17-8(2)9(6-15-17)21(18,19)16-4-5-20-10(7-16)11(12,13)14/h6,10H,3-5,7H2,1-2H3/t10-/m0/s1
InChIKeyQESKAUZFXJNZIU-JTQLQIEISA-N
XLogP1.16
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine?
The IUPAC name of (2S)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine (CID 95563535) is (2S)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine.
What is the SMILES notation for (2S)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine?
The canonical SMILES for (2S)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine is CCn1ncc(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)c1C.
What is the InChIKey of (2S)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine?
The InChIKey is QESKAUZFXJNZIU-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16F3N3O3S/c1-3-17-8(2)9(6-15-17)21(18,19)16-4-5-20-10(7-16)11(12,13)14/h6,10H,3-5,7H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine?
(2S)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine has a molecular weight of 327.33 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 95563535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).