5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-amine

C11H20N4O2S2 — CID 66383904

IUPAC5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-amine
SMILESCCS(=O)(=O)C1CSCCN1c1c(N)c(C)nn1C
InChIInChI=1S/C11H20N4O2S2/c1-4-19(16,17)9-7-18-6-5-15(9)11-10(12)8(2)13-14(11)3/h9H,4-7,12H2,1-3H3
InChIKeyUEWQRNBVXJVZBG-UHFFFAOYSA-N
MW304.44 g/mol
LogP0.62
Rot. Bonds3

About 5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-amine

5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-amine (PubChem CID 66383904) has the molecular formula C11H20N4O2S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-amine
PubChem CID66383904
Molecular FormulaC11H20N4O2S2
Molecular Weight304.44 g/mol
Exact Mass304.10
IUPAC Name5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-amine
SMILESCCS(=O)(=O)C1CSCCN1c1c(N)c(C)nn1C
InChIInChI=1S/C11H20N4O2S2/c1-4-19(16,17)9-7-18-6-5-15(9)11-10(12)8(2)13-14(11)3/h9H,4-7,12H2,1-3H3
InChIKeyUEWQRNBVXJVZBG-UHFFFAOYSA-N
XLogP0.62
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-amine?
The IUPAC name of 5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-amine (CID 66383904) is 5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for 5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for 5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-amine is CCS(=O)(=O)C1CSCCN1c1c(N)c(C)nn1C.
What is the InChIKey of 5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-amine?
The InChIKey is UEWQRNBVXJVZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S2/c1-4-19(16,17)9-7-18-6-5-15(9)11-10(12)8(2)13-14(11)3/h9H,4-7,12H2,1-3H3.
What are the key properties of 5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-amine?
5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-amine has a molecular weight of 304.44 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 66383904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).