2-(4-methylsulfonylpiperazin-1-yl)-2-pyridin-4-ylethanamine

C12H20N4O2S — CID 55133317

IUPAC2-(4-methylsulfonylpiperazin-1-yl)-2-pyridin-4-ylethanamine
SMILESCS(=O)(=O)N1CCN(C(CN)c2ccncc2)CC1
InChIInChI=1S/C12H20N4O2S/c1-19(17,18)16-8-6-15(7-9-16)12(10-13)11-2-4-14-5-3-11/h2-5,12H,6-10,13H2,1H3
InChIKeyQMOFSICAHBEXIQ-UHFFFAOYSA-N
MW284.38 g/mol
LogP-0.34
Rot. Bonds4

About 2-(4-methylsulfonylpiperazin-1-yl)-2-pyridin-4-ylethanamine

2-(4-methylsulfonylpiperazin-1-yl)-2-pyridin-4-ylethanamine (PubChem CID 55133317) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(4-methylsulfonylpiperazin-1-yl)-2-pyridin-4-ylethanamine.

Molecular Properties

Compound Name2-(4-methylsulfonylpiperazin-1-yl)-2-pyridin-4-ylethanamine
PubChem CID55133317
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-(4-methylsulfonylpiperazin-1-yl)-2-pyridin-4-ylethanamine
SMILESCS(=O)(=O)N1CCN(C(CN)c2ccncc2)CC1
InChIInChI=1S/C12H20N4O2S/c1-19(17,18)16-8-6-15(7-9-16)12(10-13)11-2-4-14-5-3-11/h2-5,12H,6-10,13H2,1H3
InChIKeyQMOFSICAHBEXIQ-UHFFFAOYSA-N
XLogP-0.34
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)-2-pyridin-4-ylethanamine?
The IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)-2-pyridin-4-ylethanamine (CID 55133317) is 2-(4-methylsulfonylpiperazin-1-yl)-2-pyridin-4-ylethanamine.
What is the SMILES notation for 2-(4-methylsulfonylpiperazin-1-yl)-2-pyridin-4-ylethanamine?
The canonical SMILES for 2-(4-methylsulfonylpiperazin-1-yl)-2-pyridin-4-ylethanamine is CS(=O)(=O)N1CCN(C(CN)c2ccncc2)CC1.
What is the InChIKey of 2-(4-methylsulfonylpiperazin-1-yl)-2-pyridin-4-ylethanamine?
The InChIKey is QMOFSICAHBEXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-19(17,18)16-8-6-15(7-9-16)12(10-13)11-2-4-14-5-3-11/h2-5,12H,6-10,13H2,1H3.
What are the key properties of 2-(4-methylsulfonylpiperazin-1-yl)-2-pyridin-4-ylethanamine?
2-(4-methylsulfonylpiperazin-1-yl)-2-pyridin-4-ylethanamine has a molecular weight of 284.38 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylpiperazin-1-yl)-2-pyridin-4-ylethanamine is sourced from PubChem (CID 55133317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).