4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine-2-carboximidamide

C11H19N5O3S — CID 79675699

IUPAC4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(S(=O)(=O)c2c(C)nn(C)c2C)CCO1
InChIInChI=1S/C11H19N5O3S/c1-7-10(8(2)15(3)14-7)20(17,18)16-4-5-19-9(6-16)11(12)13/h9H,4-6H2,1-3H3,(H3,12,13)
InChIKeyYQZCVTGZSFFVPX-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.64
Rot. Bonds3

About 4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine-2-carboximidamide

4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine-2-carboximidamide (PubChem CID 79675699) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine-2-carboximidamide.

Molecular Properties

Compound Name4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine-2-carboximidamide
PubChem CID79675699
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC Name4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(S(=O)(=O)c2c(C)nn(C)c2C)CCO1
InChIInChI=1S/C11H19N5O3S/c1-7-10(8(2)15(3)14-7)20(17,18)16-4-5-19-9(6-16)11(12)13/h9H,4-6H2,1-3H3,(H3,12,13)
InChIKeyYQZCVTGZSFFVPX-UHFFFAOYSA-N
XLogP-0.64
TPSA114.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine-2-carboximidamide?
The IUPAC name of 4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine-2-carboximidamide (CID 79675699) is 4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine-2-carboximidamide.
What is the SMILES notation for 4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine-2-carboximidamide?
The canonical SMILES for 4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine-2-carboximidamide is [H]/N=C(\N)C1CN(S(=O)(=O)c2c(C)nn(C)c2C)CCO1.
What is the InChIKey of 4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine-2-carboximidamide?
The InChIKey is YQZCVTGZSFFVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-7-10(8(2)15(3)14-7)20(17,18)16-4-5-19-9(6-16)11(12)13/h9H,4-6H2,1-3H3,(H3,12,13).
What are the key properties of 4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine-2-carboximidamide?
4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine-2-carboximidamide has a molecular weight of 301.37 g/mol, XLogP of -0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine-2-carboximidamide is sourced from PubChem (CID 79675699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).