4-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridin-3-amine

C12H20N4O2S — CID 60859911

IUPAC4-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridin-3-amine
SMILESCC(C)S(=O)(=O)N1CCN(c2ccncc2N)CC1
InChIInChI=1S/C12H20N4O2S/c1-10(2)19(17,18)16-7-5-15(6-8-16)12-3-4-14-9-11(12)13/h3-4,9-10H,5-8,13H2,1-2H3
InChIKeyIXSAJVOFFUJGLI-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.52
Rot. Bonds3

About 4-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridin-3-amine

4-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridin-3-amine (PubChem CID 60859911) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name4-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridin-3-amine
PubChem CID60859911
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name4-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridin-3-amine
SMILESCC(C)S(=O)(=O)N1CCN(c2ccncc2N)CC1
InChIInChI=1S/C12H20N4O2S/c1-10(2)19(17,18)16-7-5-15(6-8-16)12-3-4-14-9-11(12)13/h3-4,9-10H,5-8,13H2,1-2H3
InChIKeyIXSAJVOFFUJGLI-UHFFFAOYSA-N
XLogP0.52
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridin-3-amine?
The IUPAC name of 4-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridin-3-amine (CID 60859911) is 4-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridin-3-amine.
What is the SMILES notation for 4-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridin-3-amine?
The canonical SMILES for 4-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridin-3-amine is CC(C)S(=O)(=O)N1CCN(c2ccncc2N)CC1.
What is the InChIKey of 4-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridin-3-amine?
The InChIKey is IXSAJVOFFUJGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-10(2)19(17,18)16-7-5-15(6-8-16)12-3-4-14-9-11(12)13/h3-4,9-10H,5-8,13H2,1-2H3.
What are the key properties of 4-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridin-3-amine?
4-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridin-3-amine has a molecular weight of 284.38 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridin-3-amine is sourced from PubChem (CID 60859911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).