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

C10H16N4O4S2 — CID 62992089

IUPAC3-(4-methylsulfonylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCS(=O)(=O)N1CCN(S(=O)(=O)c2cccnc2N)CC1
InChIInChI=1S/C10H16N4O4S2/c1-19(15,16)13-5-7-14(8-6-13)20(17,18)9-3-2-4-12-10(9)11/h2-4H,5-8H2,1H3,(H2,11,12)
InChIKeyCWWYLAAPVUDRQL-UHFFFAOYSA-N
MW320.40 g/mol
LogP-1.07
Rot. Bonds3

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

3-(4-methylsulfonylpiperazin-1-yl)sulfonylpyridin-2-amine (PubChem CID 62992089) has the molecular formula C10H16N4O4S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-(4-methylsulfonylpiperazin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound Name3-(4-methylsulfonylpiperazin-1-yl)sulfonylpyridin-2-amine
PubChem CID62992089
Molecular FormulaC10H16N4O4S2
Molecular Weight320.40 g/mol
Exact Mass320.06
IUPAC Name3-(4-methylsulfonylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCS(=O)(=O)N1CCN(S(=O)(=O)c2cccnc2N)CC1
InChIInChI=1S/C10H16N4O4S2/c1-19(15,16)13-5-7-14(8-6-13)20(17,18)9-3-2-4-12-10(9)11/h2-4H,5-8H2,1H3,(H2,11,12)
InChIKeyCWWYLAAPVUDRQL-UHFFFAOYSA-N
XLogP-1.07
TPSA113.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylpiperazin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of 3-(4-methylsulfonylpiperazin-1-yl)sulfonylpyridin-2-amine (CID 62992089) is 3-(4-methylsulfonylpiperazin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for 3-(4-methylsulfonylpiperazin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for 3-(4-methylsulfonylpiperazin-1-yl)sulfonylpyridin-2-amine is CS(=O)(=O)N1CCN(S(=O)(=O)c2cccnc2N)CC1.
What is the InChIKey of 3-(4-methylsulfonylpiperazin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is CWWYLAAPVUDRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4S2/c1-19(15,16)13-5-7-14(8-6-13)20(17,18)9-3-2-4-12-10(9)11/h2-4H,5-8H2,1H3,(H2,11,12).
What are the key properties of 3-(4-methylsulfonylpiperazin-1-yl)sulfonylpyridin-2-amine?
3-(4-methylsulfonylpiperazin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 320.40 g/mol, XLogP of -1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylpiperazin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 62992089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).