5-(2,6-dimethylthiomorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine

C13H24N4S — CID 66024816

IUPAC5-(2,6-dimethylthiomorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(N2CC(C)SC(C)C2)c1N
InChIInChI=1S/C13H24N4S/c1-8(2)17-13(12(14)11(5)15-17)16-6-9(3)18-10(4)7-16/h8-10H,6-7,14H2,1-5H3
InChIKeyJBBYTUYPKQQLGN-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.68
Rot. Bonds2

About 5-(2,6-dimethylthiomorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine

5-(2,6-dimethylthiomorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 66024816) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 5-(2,6-dimethylthiomorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name5-(2,6-dimethylthiomorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine
PubChem CID66024816
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name5-(2,6-dimethylthiomorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(N2CC(C)SC(C)C2)c1N
InChIInChI=1S/C13H24N4S/c1-8(2)17-13(12(14)11(5)15-17)16-6-9(3)18-10(4)7-16/h8-10H,6-7,14H2,1-5H3
InChIKeyJBBYTUYPKQQLGN-UHFFFAOYSA-N
XLogP2.68
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylthiomorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of 5-(2,6-dimethylthiomorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine (CID 66024816) is 5-(2,6-dimethylthiomorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 5-(2,6-dimethylthiomorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 5-(2,6-dimethylthiomorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine is Cc1nn(C(C)C)c(N2CC(C)SC(C)C2)c1N.
What is the InChIKey of 5-(2,6-dimethylthiomorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is JBBYTUYPKQQLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-8(2)17-13(12(14)11(5)15-17)16-6-9(3)18-10(4)7-16/h8-10H,6-7,14H2,1-5H3.
What are the key properties of 5-(2,6-dimethylthiomorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine?
5-(2,6-dimethylthiomorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 268.43 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylthiomorpholin-4-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 66024816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).