3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonyl-methylamino]propanoic acid

C11H22N2O5S — CID 106835695

IUPAC3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonyl-methylamino]propanoic acid
SMILESCC(O)C1CCN(S(=O)(=O)N(C)CCC(=O)O)CC1
InChIInChI=1S/C11H22N2O5S/c1-9(14)10-3-7-13(8-4-10)19(17,18)12(2)6-5-11(15)16/h9-10,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyALMKSZBAWQWNCG-UHFFFAOYSA-N
MW294.37 g/mol
LogP-0.27
Rot. Bonds6

About 3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonyl-methylamino]propanoic acid

3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonyl-methylamino]propanoic acid (PubChem CID 106835695) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is 3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonyl-methylamino]propanoic acid
PubChem CID106835695
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Name3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonyl-methylamino]propanoic acid
SMILESCC(O)C1CCN(S(=O)(=O)N(C)CCC(=O)O)CC1
InChIInChI=1S/C11H22N2O5S/c1-9(14)10-3-7-13(8-4-10)19(17,18)12(2)6-5-11(15)16/h9-10,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyALMKSZBAWQWNCG-UHFFFAOYSA-N
XLogP-0.27
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-carbamoylpyrrolidin-1-yl)sulfonyl-methylamino]propanoic acid
CID 114081825
3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]-methylamino]propanoic acid
CID 106836785
N-(3-aminopropyl)-3-(1-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide
CID 112624880
N-(3-aminopropyl)-N-methyl-4-propan-2-ylpiperidine-1-sulfonamide
CID 103495211
1-[butyl(methyl)sulfamoyl]-N-ethylpiperidine-4-carboxamide
CID 86931198
3-[methyl-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]amino]propanoic acid
CID 82856843
3-[(1-methylsulfonylpiperidin-4-yl)-propan-2-ylamino]propanoic acid
CID 114239173
3-[[4-(1H-indol-2-yl)piperidin-1-yl]sulfonyl-methylamino]propanoic acid
CID 166239289
1-[5-hydroxypentyl(methyl)sulfamoyl]piperidine-4-carboxylic acid
CID 107198638
3-[(2-cyanomorpholin-4-yl)sulfonyl-methylamino]propanoic acid
CID 79675053
1-[1-(2,2-dimethylpropylsulfonyl)piperidin-4-yl]ethanol
CID 106837151
4-amino-N-methyl-N-propylpiperidine-1-sulfonamide
CID 119958974

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonyl-methylamino]propanoic acid?
The IUPAC name of 3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonyl-methylamino]propanoic acid (CID 106835695) is 3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonyl-methylamino]propanoic acid?
The canonical SMILES for 3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonyl-methylamino]propanoic acid is CC(O)C1CCN(S(=O)(=O)N(C)CCC(=O)O)CC1.
What is the InChIKey of 3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonyl-methylamino]propanoic acid?
The InChIKey is ALMKSZBAWQWNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-9(14)10-3-7-13(8-4-10)19(17,18)12(2)6-5-11(15)16/h9-10,14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonyl-methylamino]propanoic acid?
3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonyl-methylamino]propanoic acid has a molecular weight of 294.37 g/mol, XLogP of -0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonyl-methylamino]propanoic acid is sourced from PubChem (CID 106835695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).