1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-amine

C11H20N4O2S — CID 62061770

IUPAC1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-amine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCCCC1N
InChIInChI=1S/C11H20N4O2S/c1-8-11(9(2)14(3)13-8)18(16,17)15-7-5-4-6-10(15)12/h10H,4-7,12H2,1-3H3
InChIKeyLXHVTSMRFCNGMI-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.50
Rot. Bonds2

About 1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-amine

1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-amine (PubChem CID 62061770) 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-2-amine.

Molecular Properties

Compound Name1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-amine
PubChem CID62061770
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-amine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCCCC1N
InChIInChI=1S/C11H20N4O2S/c1-8-11(9(2)14(3)13-8)18(16,17)15-7-5-4-6-10(15)12/h10H,4-7,12H2,1-3H3
InChIKeyLXHVTSMRFCNGMI-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
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-2-amine?
The IUPAC name of 1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-amine (CID 62061770) is 1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-amine.
What is the SMILES notation for 1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-amine?
The canonical SMILES for 1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-amine is Cc1nn(C)c(C)c1S(=O)(=O)N1CCCCC1N.
What is the InChIKey of 1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-amine?
The InChIKey is LXHVTSMRFCNGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-8-11(9(2)14(3)13-8)18(16,17)15-7-5-4-6-10(15)12/h10H,4-7,12H2,1-3H3.
What are the key properties of 1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-amine?
1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-amine has a molecular weight of 272.37 g/mol, XLogP of 0.50, 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-2-amine is sourced from PubChem (CID 62061770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).