2-(4-methylsulfonylpiperazin-1-yl)acetamide

C7H15N3O3S — CID 22200284

IUPAC2-(4-methylsulfonylpiperazin-1-yl)acetamide
SMILESCS(=O)(=O)N1CCN(CC(N)=O)CC1
InChIInChI=1S/C7H15N3O3S/c1-14(12,13)10-4-2-9(3-5-10)6-7(8)11/h2-6H2,1H3,(H2,8,11)
InChIKeyOWONUJZIYCZDPR-UHFFFAOYSA-N
MW221.28 g/mol
LogP-1.95
Rot. Bonds3

About 2-(4-methylsulfonylpiperazin-1-yl)acetamide

2-(4-methylsulfonylpiperazin-1-yl)acetamide (PubChem CID 22200284) has the molecular formula C7H15N3O3S and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-(4-methylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylsulfonylpiperazin-1-yl)acetamide
PubChem CID22200284
Molecular FormulaC7H15N3O3S
Molecular Weight221.28 g/mol
Exact Mass221.08
IUPAC Name2-(4-methylsulfonylpiperazin-1-yl)acetamide
SMILESCS(=O)(=O)N1CCN(CC(N)=O)CC1
InChIInChI=1S/C7H15N3O3S/c1-14(12,13)10-4-2-9(3-5-10)6-7(8)11/h2-6H2,1H3,(H2,8,11)
InChIKeyOWONUJZIYCZDPR-UHFFFAOYSA-N
XLogP-1.95
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-1.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)acetamide (CID 22200284) is 2-(4-methylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for 2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for 2-(4-methylsulfonylpiperazin-1-yl)acetamide is CS(=O)(=O)N1CCN(CC(N)=O)CC1.
What is the InChIKey of 2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is OWONUJZIYCZDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3S/c1-14(12,13)10-4-2-9(3-5-10)6-7(8)11/h2-6H2,1H3,(H2,8,11).
What are the key properties of 2-(4-methylsulfonylpiperazin-1-yl)acetamide?
2-(4-methylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 221.28 g/mol, XLogP of -1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 22200284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).