ethyl 3-[4-methyl-4-(methylamino)piperidin-1-yl]sulfonylpropanoate

C12H24N2O4S — CID 115304847

IUPACethyl 3-[4-methyl-4-(methylamino)piperidin-1-yl]sulfonylpropanoate
SMILESCCOC(=O)CCS(=O)(=O)N1CCC(C)(NC)CC1
InChIInChI=1S/C12H24N2O4S/c1-4-18-11(15)5-10-19(16,17)14-8-6-12(2,13-3)7-9-14/h13H,4-10H2,1-3H3
InChIKeyFUFPLODBEINVFJ-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.34
Rot. Bonds6

About ethyl 3-[4-methyl-4-(methylamino)piperidin-1-yl]sulfonylpropanoate

ethyl 3-[4-methyl-4-(methylamino)piperidin-1-yl]sulfonylpropanoate (PubChem CID 115304847) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is ethyl 3-[4-methyl-4-(methylamino)piperidin-1-yl]sulfonylpropanoate.

Molecular Properties

Compound Nameethyl 3-[4-methyl-4-(methylamino)piperidin-1-yl]sulfonylpropanoate
PubChem CID115304847
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Nameethyl 3-[4-methyl-4-(methylamino)piperidin-1-yl]sulfonylpropanoate
SMILESCCOC(=O)CCS(=O)(=O)N1CCC(C)(NC)CC1
InChIInChI=1S/C12H24N2O4S/c1-4-18-11(15)5-10-19(16,17)14-8-6-12(2,13-3)7-9-14/h13H,4-10H2,1-3H3
InChIKeyFUFPLODBEINVFJ-UHFFFAOYSA-N
XLogP0.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[4-(cyanomethyl)piperazin-1-yl]sulfonylpropanoate
CID 55201189
1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 55177374
1-(2,2-dimethylpropylsulfonyl)-N,4-dimethylpiperidin-4-amine
CID 115304752
1-(3-ethoxy-3-oxopropyl)sulfonyl-3,3-dimethylpiperidine-2-carboxylic acid
CID 106831643
ethyl 3-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoate
CID 81456891
ethyl 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylpropanoate
CID 114779075
ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)acetate
CID 78931811
1-(2-ethoxy-2-oxoethyl)sulfonyl-4-ethylpiperidine-4-carboxylic acid
CID 63125440
2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanesulfonamide
CID 114385516
ethyl 3-methylsulfonylpropanoate
CID 58565961
1-ethylsulfonyl-4-methylpiperidin-4-amine
CID 71167424
4-methyl-4-(methylamino)-N-propylpiperidine-1-sulfonamide
CID 114811227

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-methyl-4-(methylamino)piperidin-1-yl]sulfonylpropanoate?
The IUPAC name of ethyl 3-[4-methyl-4-(methylamino)piperidin-1-yl]sulfonylpropanoate (CID 115304847) is ethyl 3-[4-methyl-4-(methylamino)piperidin-1-yl]sulfonylpropanoate.
What is the SMILES notation for ethyl 3-[4-methyl-4-(methylamino)piperidin-1-yl]sulfonylpropanoate?
The canonical SMILES for ethyl 3-[4-methyl-4-(methylamino)piperidin-1-yl]sulfonylpropanoate is CCOC(=O)CCS(=O)(=O)N1CCC(C)(NC)CC1.
What is the InChIKey of ethyl 3-[4-methyl-4-(methylamino)piperidin-1-yl]sulfonylpropanoate?
The InChIKey is FUFPLODBEINVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-4-18-11(15)5-10-19(16,17)14-8-6-12(2,13-3)7-9-14/h13H,4-10H2,1-3H3.
What are the key properties of ethyl 3-[4-methyl-4-(methylamino)piperidin-1-yl]sulfonylpropanoate?
ethyl 3-[4-methyl-4-(methylamino)piperidin-1-yl]sulfonylpropanoate has a molecular weight of 292.40 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-methyl-4-(methylamino)piperidin-1-yl]sulfonylpropanoate is sourced from PubChem (CID 115304847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).