5-(4-methylsulfonylpiperazin-1-yl)sulfonylpyrimidin-2-amine

C9H15N5O4S2 — CID 62992250

IUPAC5-(4-methylsulfonylpiperazin-1-yl)sulfonylpyrimidin-2-amine
SMILESCS(=O)(=O)N1CCN(S(=O)(=O)c2cnc(N)nc2)CC1
InChIInChI=1S/C9H15N5O4S2/c1-19(15,16)13-2-4-14(5-3-13)20(17,18)8-6-11-9(10)12-7-8/h6-7H,2-5H2,1H3,(H2,10,11,12)
InChIKeyZWXNKDQIKNCRBA-UHFFFAOYSA-N
MW321.38 g/mol
LogP-1.68
Rot. Bonds3

About 5-(4-methylsulfonylpiperazin-1-yl)sulfonylpyrimidin-2-amine

5-(4-methylsulfonylpiperazin-1-yl)sulfonylpyrimidin-2-amine (PubChem CID 62992250) has the molecular formula C9H15N5O4S2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-(4-methylsulfonylpiperazin-1-yl)sulfonylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-methylsulfonylpiperazin-1-yl)sulfonylpyrimidin-2-amine
PubChem CID62992250
Molecular FormulaC9H15N5O4S2
Molecular Weight321.38 g/mol
Exact Mass321.06
IUPAC Name5-(4-methylsulfonylpiperazin-1-yl)sulfonylpyrimidin-2-amine
SMILESCS(=O)(=O)N1CCN(S(=O)(=O)c2cnc(N)nc2)CC1
InChIInChI=1S/C9H15N5O4S2/c1-19(15,16)13-2-4-14(5-3-13)20(17,18)8-6-11-9(10)12-7-8/h6-7H,2-5H2,1H3,(H2,10,11,12)
InChIKeyZWXNKDQIKNCRBA-UHFFFAOYSA-N
XLogP-1.68
TPSA126.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-1.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylpiperazin-1-yl)sulfonylpyrimidin-2-amine?
The IUPAC name of 5-(4-methylsulfonylpiperazin-1-yl)sulfonylpyrimidin-2-amine (CID 62992250) is 5-(4-methylsulfonylpiperazin-1-yl)sulfonylpyrimidin-2-amine.
What is the SMILES notation for 5-(4-methylsulfonylpiperazin-1-yl)sulfonylpyrimidin-2-amine?
The canonical SMILES for 5-(4-methylsulfonylpiperazin-1-yl)sulfonylpyrimidin-2-amine is CS(=O)(=O)N1CCN(S(=O)(=O)c2cnc(N)nc2)CC1.
What is the InChIKey of 5-(4-methylsulfonylpiperazin-1-yl)sulfonylpyrimidin-2-amine?
The InChIKey is ZWXNKDQIKNCRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O4S2/c1-19(15,16)13-2-4-14(5-3-13)20(17,18)8-6-11-9(10)12-7-8/h6-7H,2-5H2,1H3,(H2,10,11,12).
What are the key properties of 5-(4-methylsulfonylpiperazin-1-yl)sulfonylpyrimidin-2-amine?
5-(4-methylsulfonylpiperazin-1-yl)sulfonylpyrimidin-2-amine has a molecular weight of 321.38 g/mol, XLogP of -1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylpiperazin-1-yl)sulfonylpyrimidin-2-amine is sourced from PubChem (CID 62992250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).