methyl 2-methyl-3-(2,3,4-trimethylpiperazin-1-yl)sulfonylpropanoate

C12H24N2O4S — CID 136519862

IUPACmethyl 2-methyl-3-(2,3,4-trimethylpiperazin-1-yl)sulfonylpropanoate
SMILESCOC(=O)C(C)CS(=O)(=O)N1CCN(C)C(C)C1C
InChIInChI=1S/C12H24N2O4S/c1-9(12(15)18-5)8-19(16,17)14-7-6-13(4)10(2)11(14)3/h9-11H,6-8H2,1-5H3
InChIKeyAJAVODKSBHSCKN-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.15
Rot. Bonds4

About methyl 2-methyl-3-(2,3,4-trimethylpiperazin-1-yl)sulfonylpropanoate

methyl 2-methyl-3-(2,3,4-trimethylpiperazin-1-yl)sulfonylpropanoate (PubChem CID 136519862) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is methyl 2-methyl-3-(2,3,4-trimethylpiperazin-1-yl)sulfonylpropanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(2,3,4-trimethylpiperazin-1-yl)sulfonylpropanoate
PubChem CID136519862
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Namemethyl 2-methyl-3-(2,3,4-trimethylpiperazin-1-yl)sulfonylpropanoate
SMILESCOC(=O)C(C)CS(=O)(=O)N1CCN(C)C(C)C1C
InChIInChI=1S/C12H24N2O4S/c1-9(12(15)18-5)8-19(16,17)14-7-6-13(4)10(2)11(14)3/h9-11H,6-8H2,1-5H3
InChIKeyAJAVODKSBHSCKN-UHFFFAOYSA-N
XLogP0.15
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-3-(2,3,4-trimethylpiperazin-1-yl)sulfonylpropanoate with MolForge

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

Launch Full Analysis

Related Compounds

3-[(4-methylpiperizin-1-yl)sulfonyl]-2(R)-methylpropionic acid
CID 28710109
(2S)-2-methyl-3-(4-methylpiperazin-1-yl)sulfonylpropanoic acid
CID 28710111
Methyl 2-(4-(ethylsulfonyl)piperazin-1-yl)propanoate
CID 49627175
3-(4-Methylpiperazin-1-yl)sulfonylpropyl acetate
CID 54395612
Methyl 3-(4-ethylpiperazin-1-yl)sulfonylpropanoate
CID 58730560
Methyl 2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanoate
CID 153863432
methyl (2S)-2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanoate
CID 154680475
Methyl 2-(4-(butylsulfonyl)piperazin-1-yl)propanoate
CID 169787582
2-Methyl-3-(4-methylpiperazin-1-yl)sulfonylpropanoic acid
CID 18738470
2-(4-Propan-2-ylpiperazin-1-yl)sulfonylacetic acid
CID 43585164
3-(4-Propan-2-ylpiperazin-1-yl)sulfonylpropanoic acid
CID 43585169
Methyl 3-(4-ethylsulfonylpiperazin-1-yl)propanoate
CID 47812170

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-(2,3,4-trimethylpiperazin-1-yl)sulfonylpropanoate?
The IUPAC name of methyl 2-methyl-3-(2,3,4-trimethylpiperazin-1-yl)sulfonylpropanoate (CID 136519862) is methyl 2-methyl-3-(2,3,4-trimethylpiperazin-1-yl)sulfonylpropanoate.
What is the SMILES notation for methyl 2-methyl-3-(2,3,4-trimethylpiperazin-1-yl)sulfonylpropanoate?
The canonical SMILES for methyl 2-methyl-3-(2,3,4-trimethylpiperazin-1-yl)sulfonylpropanoate is COC(=O)C(C)CS(=O)(=O)N1CCN(C)C(C)C1C.
What is the InChIKey of methyl 2-methyl-3-(2,3,4-trimethylpiperazin-1-yl)sulfonylpropanoate?
The InChIKey is AJAVODKSBHSCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-9(12(15)18-5)8-19(16,17)14-7-6-13(4)10(2)11(14)3/h9-11H,6-8H2,1-5H3.
What are the key properties of methyl 2-methyl-3-(2,3,4-trimethylpiperazin-1-yl)sulfonylpropanoate?
methyl 2-methyl-3-(2,3,4-trimethylpiperazin-1-yl)sulfonylpropanoate has a molecular weight of 292.40 g/mol, XLogP of 0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(2,3,4-trimethylpiperazin-1-yl)sulfonylpropanoate is sourced from PubChem (CID 136519862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).