4-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1-propylpyrazol-3-amine

C13H24N4O3S — CID 60809609

IUPAC4-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1-propylpyrazol-3-amine
SMILESCCCn1cc(S(=O)(=O)N2CC(C)OCC2CC)c(N)n1
InChIInChI=1S/C13H24N4O3S/c1-4-6-16-8-12(13(14)15-16)21(18,19)17-7-10(3)20-9-11(17)5-2/h8,10-11H,4-7,9H2,1-3H3,(H2,14,15)
InChIKeyDUIIULOADIJISR-UHFFFAOYSA-N
MW316.43 g/mol
LogP1.06
Rot. Bonds5

About 4-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1-propylpyrazol-3-amine

4-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1-propylpyrazol-3-amine (PubChem CID 60809609) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is 4-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1-propylpyrazol-3-amine.

Molecular Properties

Compound Name4-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1-propylpyrazol-3-amine
PubChem CID60809609
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name4-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1-propylpyrazol-3-amine
SMILESCCCn1cc(S(=O)(=O)N2CC(C)OCC2CC)c(N)n1
InChIInChI=1S/C13H24N4O3S/c1-4-6-16-8-12(13(14)15-16)21(18,19)17-7-10(3)20-9-11(17)5-2/h8,10-11H,4-7,9H2,1-3H3,(H2,14,15)
InChIKeyDUIIULOADIJISR-UHFFFAOYSA-N
XLogP1.06
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1-propylpyrazol-3-amine?
The IUPAC name of 4-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1-propylpyrazol-3-amine (CID 60809609) is 4-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1-propylpyrazol-3-amine.
What is the SMILES notation for 4-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1-propylpyrazol-3-amine?
The canonical SMILES for 4-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1-propylpyrazol-3-amine is CCCn1cc(S(=O)(=O)N2CC(C)OCC2CC)c(N)n1.
What is the InChIKey of 4-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1-propylpyrazol-3-amine?
The InChIKey is DUIIULOADIJISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-4-6-16-8-12(13(14)15-16)21(18,19)17-7-10(3)20-9-11(17)5-2/h8,10-11H,4-7,9H2,1-3H3,(H2,14,15).
What are the key properties of 4-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1-propylpyrazol-3-amine?
4-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1-propylpyrazol-3-amine has a molecular weight of 316.43 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1-propylpyrazol-3-amine is sourced from PubChem (CID 60809609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).