(3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine

C12H21N3O3S — CID 70768374

IUPAC(3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine
SMILESCC[C@H]1COCCN1S(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C12H21N3O3S/c1-5-11-8-18-7-6-15(11)19(16,17)12-9(2)13-14(4)10(12)3/h11H,5-8H2,1-4H3/t11-/m0/s1
InChIKeyDLKDKWOBOAZHST-NSHDSACASA-N
MW287.38 g/mol
LogP0.84
Rot. Bonds3

About (3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine

(3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine (PubChem CID 70768374) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is (3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine.

Molecular Properties

Compound Name(3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine
PubChem CID70768374
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name(3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine
SMILESCC[C@H]1COCCN1S(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C12H21N3O3S/c1-5-11-8-18-7-6-15(11)19(16,17)12-9(2)13-14(4)10(12)3/h11H,5-8H2,1-4H3/t11-/m0/s1
InChIKeyDLKDKWOBOAZHST-NSHDSACASA-N
XLogP0.84
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine?
The IUPAC name of (3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine (CID 70768374) is (3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine.
What is the SMILES notation for (3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine?
The canonical SMILES for (3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine is CC[C@H]1COCCN1S(=O)(=O)c1c(C)nn(C)c1C.
What is the InChIKey of (3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine?
The InChIKey is DLKDKWOBOAZHST-NSHDSACASA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-5-11-8-18-7-6-15(11)19(16,17)12-9(2)13-14(4)10(12)3/h11H,5-8H2,1-4H3/t11-/m0/s1.
What are the key properties of (3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine?
(3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine has a molecular weight of 287.38 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine is sourced from PubChem (CID 70768374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).