methyl 3-[(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-methylamino]propanoate

C11H22N2O5S — CID 81096925

IUPACmethyl 3-[(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-methylamino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C11H22N2O5S/c1-11(15)5-8-13(9-6-11)19(16,17)12(2)7-4-10(14)18-3/h15H,4-9H2,1-3H3
InChIKeyGYKMIDUDWVOSFI-UHFFFAOYSA-N
MW294.37 g/mol
LogP-0.43
Rot. Bonds5

About methyl 3-[(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-methylamino]propanoate

methyl 3-[(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-methylamino]propanoate (PubChem CID 81096925) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is methyl 3-[(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-methylamino]propanoate
PubChem CID81096925
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Namemethyl 3-[(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-methylamino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C11H22N2O5S/c1-11(15)5-8-13(9-6-11)19(16,17)12(2)7-4-10(14)18-3/h15H,4-9H2,1-3H3
InChIKeyGYKMIDUDWVOSFI-UHFFFAOYSA-N
XLogP-0.43
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-methylamino]propanoate 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 methyl 3-[(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-methylamino]propanoate?
The IUPAC name of methyl 3-[(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-methylamino]propanoate (CID 81096925) is methyl 3-[(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-methylamino]propanoate?
The canonical SMILES for methyl 3-[(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-methylamino]propanoate is COC(=O)CCN(C)S(=O)(=O)N1CCC(C)(O)CC1.
What is the InChIKey of methyl 3-[(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-methylamino]propanoate?
The InChIKey is GYKMIDUDWVOSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-11(15)5-8-13(9-6-11)19(16,17)12(2)7-4-10(14)18-3/h15H,4-9H2,1-3H3.
What are the key properties of methyl 3-[(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-methylamino]propanoate?
methyl 3-[(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-methylamino]propanoate has a molecular weight of 294.37 g/mol, XLogP of -0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-methylamino]propanoate is sourced from PubChem (CID 81096925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).