(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl) 2,2-dimethylpropanoate

C12H24N2O4S — CID 174682346

IUPAC(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCN(S(C)(=O)=O)C(C)(C)C1
InChIInChI=1S/C12H24N2O4S/c1-11(2,3)10(15)18-13-7-8-14(19(6,16)17)12(4,5)9-13/h7-9H2,1-6H3
InChIKeyBPMMWZUGMMCALY-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.85
Rot. Bonds2

About (3,3-dimethyl-4-methylsulfonylpiperazin-1-yl) 2,2-dimethylpropanoate

(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl) 2,2-dimethylpropanoate (PubChem CID 174682346) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is (3,3-dimethyl-4-methylsulfonylpiperazin-1-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl) 2,2-dimethylpropanoate
PubChem CID174682346
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCN(S(C)(=O)=O)C(C)(C)C1
InChIInChI=1S/C12H24N2O4S/c1-11(2,3)10(15)18-13-7-8-14(19(6,16)17)12(4,5)9-13/h7-9H2,1-6H3
InChIKeyBPMMWZUGMMCALY-UHFFFAOYSA-N
XLogP0.85
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3,3-dimethyl-4-methylsulfonylpiperazin-1-yl) 2,2-dimethylpropanoate 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

[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174732113
[4-(2-bromoacetyl)piperazin-1-yl] 2,2-dimethylpropanoate
CID 174607593
[(3R)-3-fluoropyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174512176
(4-carbonochloridoylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174442879
[4-(2H-triazol-4-ylsulfonyl)piperazin-1-yl] 2,2-dimethylpropanoate
CID 175278595
[4-(4-bromophenyl)sulfonylpiperazin-1-yl] 2,2-dimethylpropanoate
CID 174624537
(2,2-dimethylpiperazin-1-yl) 2,2-dimethylpropanoate
CID 174609273
(4-formylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174553162
[4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174751295
[(3S)-3-sulfanylpyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174754591
(3-bromoazetidin-1-yl) 2,2-dimethylpropanoate
CID 174717988
[4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 175267914

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-4-methylsulfonylpiperazin-1-yl) 2,2-dimethylpropanoate?
The IUPAC name of (3,3-dimethyl-4-methylsulfonylpiperazin-1-yl) 2,2-dimethylpropanoate (CID 174682346) is (3,3-dimethyl-4-methylsulfonylpiperazin-1-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (3,3-dimethyl-4-methylsulfonylpiperazin-1-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (3,3-dimethyl-4-methylsulfonylpiperazin-1-yl) 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCN(S(C)(=O)=O)C(C)(C)C1.
What is the InChIKey of (3,3-dimethyl-4-methylsulfonylpiperazin-1-yl) 2,2-dimethylpropanoate?
The InChIKey is BPMMWZUGMMCALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-11(2,3)10(15)18-13-7-8-14(19(6,16)17)12(4,5)9-13/h7-9H2,1-6H3.
What are the key properties of (3,3-dimethyl-4-methylsulfonylpiperazin-1-yl) 2,2-dimethylpropanoate?
(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl) 2,2-dimethylpropanoate has a molecular weight of 292.40 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-4-methylsulfonylpiperazin-1-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 174682346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).