4-(3-methoxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine

C11H20N4O3S — CID 102955313

IUPAC4-(3-methoxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
SMILESCOC1CCCN(S(=O)(=O)c2c(N)nn(C)c2C)C1
InChIInChI=1S/C11H20N4O3S/c1-8-10(11(12)13-14(8)2)19(16,17)15-6-4-5-9(7-15)18-3/h9H,4-7H2,1-3H3,(H2,12,13)
InChIKeyALCMFOPQDBYHAN-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.11
Rot. Bonds3

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

4-(3-methoxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine (PubChem CID 102955313) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-(3-methoxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound Name4-(3-methoxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
PubChem CID102955313
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name4-(3-methoxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
SMILESCOC1CCCN(S(=O)(=O)c2c(N)nn(C)c2C)C1
InChIInChI=1S/C11H20N4O3S/c1-8-10(11(12)13-14(8)2)19(16,17)15-6-4-5-9(7-15)18-3/h9H,4-7H2,1-3H3,(H2,12,13)
InChIKeyALCMFOPQDBYHAN-UHFFFAOYSA-N
XLogP0.11
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine?
The IUPAC name of 4-(3-methoxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine (CID 102955313) is 4-(3-methoxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine.
What is the SMILES notation for 4-(3-methoxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine?
The canonical SMILES for 4-(3-methoxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine is COC1CCCN(S(=O)(=O)c2c(N)nn(C)c2C)C1.
What is the InChIKey of 4-(3-methoxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine?
The InChIKey is ALCMFOPQDBYHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-8-10(11(12)13-14(8)2)19(16,17)15-6-4-5-9(7-15)18-3/h9H,4-7H2,1-3H3,(H2,12,13).
What are the key properties of 4-(3-methoxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine?
4-(3-methoxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine has a molecular weight of 288.37 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 102955313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).