2-(4-acetylpiperazin-1-yl)-N-propan-2-ylsulfonylacetamide

C11H21N3O4S — CID 70244043

IUPAC2-(4-acetylpiperazin-1-yl)-N-propan-2-ylsulfonylacetamide
SMILESCC(=O)N1CCN(CC(=O)NS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C11H21N3O4S/c1-9(2)19(17,18)12-11(16)8-13-4-6-14(7-5-13)10(3)15/h9H,4-8H2,1-3H3,(H,12,16)
InChIKeyJECIHAZLLLTUJJ-UHFFFAOYSA-N
MW291.37 g/mol
LogP-1.00
Rot. Bonds4

About 2-(4-acetylpiperazin-1-yl)-N-propan-2-ylsulfonylacetamide

2-(4-acetylpiperazin-1-yl)-N-propan-2-ylsulfonylacetamide (PubChem CID 70244043) has the molecular formula C11H21N3O4S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-propan-2-ylsulfonylacetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-propan-2-ylsulfonylacetamide
PubChem CID70244043
Molecular FormulaC11H21N3O4S
Molecular Weight291.37 g/mol
Exact Mass291.13
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-propan-2-ylsulfonylacetamide
SMILESCC(=O)N1CCN(CC(=O)NS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C11H21N3O4S/c1-9(2)19(17,18)12-11(16)8-13-4-6-14(7-5-13)10(3)15/h9H,4-8H2,1-3H3,(H,12,16)
InChIKeyJECIHAZLLLTUJJ-UHFFFAOYSA-N
XLogP-1.00
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-propan-2-ylsulfonylacetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-propan-2-ylsulfonylacetamide (CID 70244043) is 2-(4-acetylpiperazin-1-yl)-N-propan-2-ylsulfonylacetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-propan-2-ylsulfonylacetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-propan-2-ylsulfonylacetamide is CC(=O)N1CCN(CC(=O)NS(=O)(=O)C(C)C)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-propan-2-ylsulfonylacetamide?
The InChIKey is JECIHAZLLLTUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4S/c1-9(2)19(17,18)12-11(16)8-13-4-6-14(7-5-13)10(3)15/h9H,4-8H2,1-3H3,(H,12,16).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-propan-2-ylsulfonylacetamide?
2-(4-acetylpiperazin-1-yl)-N-propan-2-ylsulfonylacetamide has a molecular weight of 291.37 g/mol, XLogP of -1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-propan-2-ylsulfonylacetamide is sourced from PubChem (CID 70244043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).