4-(4-ethoxypiperidin-1-yl)sulfonyl-1-methylpyrazol-3-amine

C11H20N4O3S — CID 61219951

IUPAC4-(4-ethoxypiperidin-1-yl)sulfonyl-1-methylpyrazol-3-amine
SMILESCCOC1CCN(S(=O)(=O)c2cn(C)nc2N)CC1
InChIInChI=1S/C11H20N4O3S/c1-3-18-9-4-6-15(7-5-9)19(16,17)10-8-14(2)13-11(10)12/h8-9H,3-7H2,1-2H3,(H2,12,13)
InChIKeyOLCKQYMBEXAOSI-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.19
Rot. Bonds4

About 4-(4-ethoxypiperidin-1-yl)sulfonyl-1-methylpyrazol-3-amine

4-(4-ethoxypiperidin-1-yl)sulfonyl-1-methylpyrazol-3-amine (PubChem CID 61219951) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-(4-ethoxypiperidin-1-yl)sulfonyl-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name4-(4-ethoxypiperidin-1-yl)sulfonyl-1-methylpyrazol-3-amine
PubChem CID61219951
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name4-(4-ethoxypiperidin-1-yl)sulfonyl-1-methylpyrazol-3-amine
SMILESCCOC1CCN(S(=O)(=O)c2cn(C)nc2N)CC1
InChIInChI=1S/C11H20N4O3S/c1-3-18-9-4-6-15(7-5-9)19(16,17)10-8-14(2)13-11(10)12/h8-9H,3-7H2,1-2H3,(H2,12,13)
InChIKeyOLCKQYMBEXAOSI-UHFFFAOYSA-N
XLogP0.19
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxypiperidin-1-yl)sulfonyl-1-methylpyrazol-3-amine?
The IUPAC name of 4-(4-ethoxypiperidin-1-yl)sulfonyl-1-methylpyrazol-3-amine (CID 61219951) is 4-(4-ethoxypiperidin-1-yl)sulfonyl-1-methylpyrazol-3-amine.
What is the SMILES notation for 4-(4-ethoxypiperidin-1-yl)sulfonyl-1-methylpyrazol-3-amine?
The canonical SMILES for 4-(4-ethoxypiperidin-1-yl)sulfonyl-1-methylpyrazol-3-amine is CCOC1CCN(S(=O)(=O)c2cn(C)nc2N)CC1.
What is the InChIKey of 4-(4-ethoxypiperidin-1-yl)sulfonyl-1-methylpyrazol-3-amine?
The InChIKey is OLCKQYMBEXAOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-3-18-9-4-6-15(7-5-9)19(16,17)10-8-14(2)13-11(10)12/h8-9H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of 4-(4-ethoxypiperidin-1-yl)sulfonyl-1-methylpyrazol-3-amine?
4-(4-ethoxypiperidin-1-yl)sulfonyl-1-methylpyrazol-3-amine has a molecular weight of 288.37 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxypiperidin-1-yl)sulfonyl-1-methylpyrazol-3-amine is sourced from PubChem (CID 61219951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).