1,5-dimethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine

C11H20N4O2S — CID 105357888

IUPAC1,5-dimethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine
SMILESCc1c(S(=O)(=O)N2CCCCC2C)c(N)nn1C
InChIInChI=1S/C11H20N4O2S/c1-8-6-4-5-7-15(8)18(16,17)10-9(2)14(3)13-11(10)12/h8H,4-7H2,1-3H3,(H2,12,13)
InChIKeyOGLFALZSMRCEFY-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.87
Rot. Bonds2

About 1,5-dimethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine

1,5-dimethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine (PubChem CID 105357888) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1,5-dimethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine
PubChem CID105357888
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name1,5-dimethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine
SMILESCc1c(S(=O)(=O)N2CCCCC2C)c(N)nn1C
InChIInChI=1S/C11H20N4O2S/c1-8-6-4-5-7-15(8)18(16,17)10-9(2)14(3)13-11(10)12/h8H,4-7H2,1-3H3,(H2,12,13)
InChIKeyOGLFALZSMRCEFY-UHFFFAOYSA-N
XLogP0.87
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine?
The IUPAC name of 1,5-dimethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine (CID 105357888) is 1,5-dimethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine.
What is the SMILES notation for 1,5-dimethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine?
The canonical SMILES for 1,5-dimethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine is Cc1c(S(=O)(=O)N2CCCCC2C)c(N)nn1C.
What is the InChIKey of 1,5-dimethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine?
The InChIKey is OGLFALZSMRCEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-8-6-4-5-7-15(8)18(16,17)10-9(2)14(3)13-11(10)12/h8H,4-7H2,1-3H3,(H2,12,13).
What are the key properties of 1,5-dimethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine?
1,5-dimethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine has a molecular weight of 272.37 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine is sourced from PubChem (CID 105357888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).