1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine

C11H20N4O2S — CID 25247407

IUPAC1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C11H20N4O2S/c1-8-11(9(2)14(3)13-8)18(16,17)15-6-4-10(12)5-7-15/h10H,4-7,12H2,1-3H3
InChIKeyFCJUTEVDBDZZBY-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.15
Rot. Bonds2

About 1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine

1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine (PubChem CID 25247407) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine
PubChem CID25247407
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C11H20N4O2S/c1-8-11(9(2)14(3)13-8)18(16,17)15-6-4-10(12)5-7-15/h10H,4-7,12H2,1-3H3
InChIKeyFCJUTEVDBDZZBY-UHFFFAOYSA-N
XLogP0.15
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 ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine?
The IUPAC name of 1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine (CID 25247407) is 1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine.
What is the SMILES notation for 1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine?
The canonical SMILES for 1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine is Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(N)CC1.
What is the InChIKey of 1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine?
The InChIKey is FCJUTEVDBDZZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-8-11(9(2)14(3)13-8)18(16,17)15-6-4-10(12)5-7-15/h10H,4-7,12H2,1-3H3.
What are the key properties of 1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine?
1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine has a molecular weight of 272.37 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 25247407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).