ethyl 2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanoate

C12H24N2O4S — CID 58297287

IUPACethyl 2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanoate
SMILESCCOC(=O)C(C)(C)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H24N2O4S/c1-5-18-11(15)12(2,3)13-10-6-8-14(9-7-10)19(4,16)17/h10,13H,5-9H2,1-4H3
InChIKeyVLPXIZTYRZONAU-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.34
Rot. Bonds5

About ethyl 2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanoate

ethyl 2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanoate (PubChem CID 58297287) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is ethyl 2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanoate
PubChem CID58297287
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Nameethyl 2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanoate
SMILESCCOC(=O)C(C)(C)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H24N2O4S/c1-5-18-11(15)12(2,3)13-10-6-8-14(9-7-10)19(4,16)17/h10,13H,5-9H2,1-4H3
InChIKeyVLPXIZTYRZONAU-UHFFFAOYSA-N
XLogP0.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanoate?
The IUPAC name of ethyl 2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanoate (CID 58297287) is ethyl 2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanoate is CCOC(=O)C(C)(C)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of ethyl 2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanoate?
The InChIKey is VLPXIZTYRZONAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-5-18-11(15)12(2,3)13-10-6-8-14(9-7-10)19(4,16)17/h10,13H,5-9H2,1-4H3.
What are the key properties of ethyl 2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanoate?
ethyl 2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanoate has a molecular weight of 292.40 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanoate is sourced from PubChem (CID 58297287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).