2-(4-acetylpiperazin-1-yl)-N-tert-butylsulfonylacetamide

C12H23N3O4S — CID 59428829

IUPAC2-(4-acetylpiperazin-1-yl)-N-tert-butylsulfonylacetamide
SMILESCC(=O)N1CCN(CC(=O)NS(=O)(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H23N3O4S/c1-10(16)15-7-5-14(6-8-15)9-11(17)13-20(18,19)12(2,3)4/h5-9H2,1-4H3,(H,13,17)
InChIKeyBPJALMSBXGZODR-UHFFFAOYSA-N
MW305.40 g/mol
LogP-0.61
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)-N-tert-butylsulfonylacetamide

2-(4-acetylpiperazin-1-yl)-N-tert-butylsulfonylacetamide (PubChem CID 59428829) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-tert-butylsulfonylacetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-tert-butylsulfonylacetamide
PubChem CID59428829
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-tert-butylsulfonylacetamide
SMILESCC(=O)N1CCN(CC(=O)NS(=O)(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H23N3O4S/c1-10(16)15-7-5-14(6-8-15)9-11(17)13-20(18,19)12(2,3)4/h5-9H2,1-4H3,(H,13,17)
InChIKeyBPJALMSBXGZODR-UHFFFAOYSA-N
XLogP-0.61
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-0.61
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-tert-butylsulfonylacetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-tert-butylsulfonylacetamide (CID 59428829) is 2-(4-acetylpiperazin-1-yl)-N-tert-butylsulfonylacetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-tert-butylsulfonylacetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-tert-butylsulfonylacetamide is CC(=O)N1CCN(CC(=O)NS(=O)(=O)C(C)(C)C)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-tert-butylsulfonylacetamide?
The InChIKey is BPJALMSBXGZODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-10(16)15-7-5-14(6-8-15)9-11(17)13-20(18,19)12(2,3)4/h5-9H2,1-4H3,(H,13,17).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-tert-butylsulfonylacetamide?
2-(4-acetylpiperazin-1-yl)-N-tert-butylsulfonylacetamide has a molecular weight of 305.40 g/mol, XLogP of -0.61, 3 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-tert-butylsulfonylacetamide is sourced from PubChem (CID 59428829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).