2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)sulfamoyl]propanoic acid

C11H22N2O5S — CID 61458209

IUPAC2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N(CCO)C1CCN(C)CC1
InChIInChI=1S/C11H22N2O5S/c1-9(11(15)16)19(17,18)13(7-8-14)10-3-5-12(2)6-4-10/h9-10,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyHLESDCBBIVMKIJ-UHFFFAOYSA-N
MW294.37 g/mol
LogP-0.82
Rot. Bonds6

About 2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)sulfamoyl]propanoic acid

2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)sulfamoyl]propanoic acid (PubChem CID 61458209) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)sulfamoyl]propanoic acid
PubChem CID61458209
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Name2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N(CCO)C1CCN(C)CC1
InChIInChI=1S/C11H22N2O5S/c1-9(11(15)16)19(17,18)13(7-8-14)10-3-5-12(2)6-4-10/h9-10,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyHLESDCBBIVMKIJ-UHFFFAOYSA-N
XLogP-0.82
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)sulfamoyl]propanoic acid (CID 61458209) is 2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)sulfamoyl]propanoic acid is CC(C(=O)O)S(=O)(=O)N(CCO)C1CCN(C)CC1.
What is the InChIKey of 2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)sulfamoyl]propanoic acid?
The InChIKey is HLESDCBBIVMKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-9(11(15)16)19(17,18)13(7-8-14)10-3-5-12(2)6-4-10/h9-10,14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)sulfamoyl]propanoic acid?
2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)sulfamoyl]propanoic acid has a molecular weight of 294.37 g/mol, XLogP of -0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)sulfamoyl]propanoic acid is sourced from PubChem (CID 61458209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).