(1S)-1-[2-(4-methylsulfonylpyrazol-1-yl)-3-pyridinyl]ethanamine

C11H14N4O2S — CID 165477558

IUPAC(1S)-1-[2-(4-methylsulfonylpyrazol-1-yl)-3-pyridinyl]ethanamine
SMILESC[C@H](N)c1cccnc1-n1cc(S(C)(=O)=O)cn1
InChIInChI=1S/C11H14N4O2S/c1-8(12)10-4-3-5-13-11(10)15-7-9(6-14-15)18(2,16)17/h3-8H,12H2,1-2H3/t8-/m0/s1
InChIKeyJCUCBQYOYQDNCG-QMMMGPOBSA-N
MW266.33 g/mol
LogP0.69
Rot. Bonds3

About (1S)-1-[2-(4-methylsulfonylpyrazol-1-yl)-3-pyridinyl]ethanamine

(1S)-1-[2-(4-methylsulfonylpyrazol-1-yl)-3-pyridinyl]ethanamine (PubChem CID 165477558) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is (1S)-1-[2-(4-methylsulfonylpyrazol-1-yl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(4-methylsulfonylpyrazol-1-yl)-3-pyridinyl]ethanamine
PubChem CID165477558
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name(1S)-1-[2-(4-methylsulfonylpyrazol-1-yl)-3-pyridinyl]ethanamine
SMILESC[C@H](N)c1cccnc1-n1cc(S(C)(=O)=O)cn1
InChIInChI=1S/C11H14N4O2S/c1-8(12)10-4-3-5-13-11(10)15-7-9(6-14-15)18(2,16)17/h3-8H,12H2,1-2H3/t8-/m0/s1
InChIKeyJCUCBQYOYQDNCG-QMMMGPOBSA-N
XLogP0.69
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(4-methylsulfonylpyrazol-1-yl)-3-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[2-(4-methylsulfonylpyrazol-1-yl)-3-pyridinyl]ethanamine (CID 165477558) is (1S)-1-[2-(4-methylsulfonylpyrazol-1-yl)-3-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(4-methylsulfonylpyrazol-1-yl)-3-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(4-methylsulfonylpyrazol-1-yl)-3-pyridinyl]ethanamine is C[C@H](N)c1cccnc1-n1cc(S(C)(=O)=O)cn1.
What is the InChIKey of (1S)-1-[2-(4-methylsulfonylpyrazol-1-yl)-3-pyridinyl]ethanamine?
The InChIKey is JCUCBQYOYQDNCG-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-8(12)10-4-3-5-13-11(10)15-7-9(6-14-15)18(2,16)17/h3-8H,12H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-[2-(4-methylsulfonylpyrazol-1-yl)-3-pyridinyl]ethanamine?
(1S)-1-[2-(4-methylsulfonylpyrazol-1-yl)-3-pyridinyl]ethanamine has a molecular weight of 266.33 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(4-methylsulfonylpyrazol-1-yl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 165477558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).