tert-butyl 2-piperazin-1-ylsulfonylacetate

C10H20N2O4S — CID 174360215

IUPACtert-butyl 2-piperazin-1-ylsulfonylacetate
SMILESCC(C)(C)OC(=O)CS(=O)(=O)N1CCNCC1
InChIInChI=1S/C10H20N2O4S/c1-10(2,3)16-9(13)8-17(14,15)12-6-4-11-5-7-12/h11H,4-8H2,1-3H3
InChIKeySVDKJBHOEYXTMW-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.44
Rot. Bonds3

About tert-butyl 2-piperazin-1-ylsulfonylacetate

tert-butyl 2-piperazin-1-ylsulfonylacetate (PubChem CID 174360215) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is tert-butyl 2-piperazin-1-ylsulfonylacetate.

Molecular Properties

Compound Nametert-butyl 2-piperazin-1-ylsulfonylacetate
PubChem CID174360215
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Nametert-butyl 2-piperazin-1-ylsulfonylacetate
SMILESCC(C)(C)OC(=O)CS(=O)(=O)N1CCNCC1
InChIInChI=1S/C10H20N2O4S/c1-10(2,3)16-9(13)8-17(14,15)12-6-4-11-5-7-12/h11H,4-8H2,1-3H3
InChIKeySVDKJBHOEYXTMW-UHFFFAOYSA-N
XLogP-0.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-piperazin-1-ylsulfonylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-piperazin-1-ylsulfonylacetate?
The IUPAC name of tert-butyl 2-piperazin-1-ylsulfonylacetate (CID 174360215) is tert-butyl 2-piperazin-1-ylsulfonylacetate.
What is the SMILES notation for tert-butyl 2-piperazin-1-ylsulfonylacetate?
The canonical SMILES for tert-butyl 2-piperazin-1-ylsulfonylacetate is CC(C)(C)OC(=O)CS(=O)(=O)N1CCNCC1.
What is the InChIKey of tert-butyl 2-piperazin-1-ylsulfonylacetate?
The InChIKey is SVDKJBHOEYXTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-10(2,3)16-9(13)8-17(14,15)12-6-4-11-5-7-12/h11H,4-8H2,1-3H3.
What are the key properties of tert-butyl 2-piperazin-1-ylsulfonylacetate?
tert-butyl 2-piperazin-1-ylsulfonylacetate has a molecular weight of 264.35 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-piperazin-1-ylsulfonylacetate is sourced from PubChem (CID 174360215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).