3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

C10H16N4O2S — CID 55043946

IUPAC3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCN1CCN(S(=O)(=O)c2cccnc2N)CC1
InChIInChI=1S/C10H16N4O2S/c1-13-5-7-14(8-6-13)17(15,16)9-3-2-4-12-10(9)11/h2-4H,5-8H2,1H3,(H2,11,12)
InChIKeyUZZYDZQXAIZAFW-UHFFFAOYSA-N
MW256.33 g/mol
LogP-0.40
Rot. Bonds2

About 3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (PubChem CID 55043946) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
PubChem CID55043946
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCN1CCN(S(=O)(=O)c2cccnc2N)CC1
InChIInChI=1S/C10H16N4O2S/c1-13-5-7-14(8-6-13)17(15,16)9-3-2-4-12-10(9)11/h2-4H,5-8H2,1H3,(H2,11,12)
InChIKeyUZZYDZQXAIZAFW-UHFFFAOYSA-N
XLogP-0.40
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of 3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (CID 55043946) is 3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is CN1CCN(S(=O)(=O)c2cccnc2N)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is UZZYDZQXAIZAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-13-5-7-14(8-6-13)17(15,16)9-3-2-4-12-10(9)11/h2-4H,5-8H2,1H3,(H2,11,12).
What are the key properties of 3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 256.33 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 55043946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).