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

C10H14F3N3O3S — CID 95554367

IUPAC(2R)-4-(1-ethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine
SMILESCCn1cc(S(=O)(=O)N2CCO[C@@H](C(F)(F)F)C2)cn1
InChIInChI=1S/C10H14F3N3O3S/c1-2-15-6-8(5-14-15)20(17,18)16-3-4-19-9(7-16)10(11,12)13/h5-6,9H,2-4,7H2,1H3/t9-/m1/s1
InChIKeyHLFCJIKIKLDVCM-SECBINFHSA-N
MW313.30 g/mol
LogP0.85
Rot. Bonds3

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

(2R)-4-(1-ethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine (PubChem CID 95554367) has the molecular formula C10H14F3N3O3S and a molecular weight of 313.30 g/mol. Its IUPAC name is (2R)-4-(1-ethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name(2R)-4-(1-ethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine
PubChem CID95554367
Molecular FormulaC10H14F3N3O3S
Molecular Weight313.30 g/mol
Exact Mass313.07
IUPAC Name(2R)-4-(1-ethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine
SMILESCCn1cc(S(=O)(=O)N2CCO[C@@H](C(F)(F)F)C2)cn1
InChIInChI=1S/C10H14F3N3O3S/c1-2-15-6-8(5-14-15)20(17,18)16-3-4-19-9(7-16)10(11,12)13/h5-6,9H,2-4,7H2,1H3/t9-/m1/s1
InChIKeyHLFCJIKIKLDVCM-SECBINFHSA-N
XLogP0.85
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(1-ethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine?
The IUPAC name of (2R)-4-(1-ethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine (CID 95554367) is (2R)-4-(1-ethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine.
What is the SMILES notation for (2R)-4-(1-ethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine?
The canonical SMILES for (2R)-4-(1-ethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine is CCn1cc(S(=O)(=O)N2CCO[C@@H](C(F)(F)F)C2)cn1.
What is the InChIKey of (2R)-4-(1-ethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine?
The InChIKey is HLFCJIKIKLDVCM-SECBINFHSA-N. The full InChI is InChI=1S/C10H14F3N3O3S/c1-2-15-6-8(5-14-15)20(17,18)16-3-4-19-9(7-16)10(11,12)13/h5-6,9H,2-4,7H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-4-(1-ethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine?
(2R)-4-(1-ethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine has a molecular weight of 313.30 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(1-ethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 95554367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).