3-(2-piperidin-1-ylethylsulfamoyl)propanoic acid

C10H20N2O4S — CID 58659564

IUPAC3-(2-piperidin-1-ylethylsulfamoyl)propanoic acid
SMILESO=C(O)CCS(=O)(=O)NCCN1CCCCC1
InChIInChI=1S/C10H20N2O4S/c13-10(14)4-9-17(15,16)11-5-8-12-6-2-1-3-7-12/h11H,1-9H2,(H,13,14)
InChIKeyLBZVGRHPIYTVEQ-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.13
Rot. Bonds7

About 3-(2-piperidin-1-ylethylsulfamoyl)propanoic acid

3-(2-piperidin-1-ylethylsulfamoyl)propanoic acid (PubChem CID 58659564) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-(2-piperidin-1-ylethylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name3-(2-piperidin-1-ylethylsulfamoyl)propanoic acid
PubChem CID58659564
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name3-(2-piperidin-1-ylethylsulfamoyl)propanoic acid
SMILESO=C(O)CCS(=O)(=O)NCCN1CCCCC1
InChIInChI=1S/C10H20N2O4S/c13-10(14)4-9-17(15,16)11-5-8-12-6-2-1-3-7-12/h11H,1-9H2,(H,13,14)
InChIKeyLBZVGRHPIYTVEQ-UHFFFAOYSA-N
XLogP-0.13
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-methylpiperidin-1-yl)ethylsulfamoyl]propanoic acid
CID 61241260
3-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]propanoic acid
CID 43362077
4-chloro-N-(2-piperidin-1-ylethyl)butane-1-sulfonamide
CID 116816051
3-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]propanoic acid
CID 62989593
3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)phenyl]propanoic acid
CID 45425049
hydrazine;3-piperidin-1-ylpropanoic acid
CID 161275938
5-[2-(azepan-1-yl)ethylamino]-5-oxopentanoic acid
CID 53211701
3-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)propanoic acid
CID 61472996
4-(2-pyrrolidin-1-ylethylsulfonyl)butanoic acid
CID 82182602
5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid
CID 43579827
3-[(4-amino-4-oxobutyl)sulfamoyl]propanoic acid
CID 60864275
N-ethyl-2-piperidin-1-ylethanesulfonamide
CID 58968860

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-1-ylethylsulfamoyl)propanoic acid?
The IUPAC name of 3-(2-piperidin-1-ylethylsulfamoyl)propanoic acid (CID 58659564) is 3-(2-piperidin-1-ylethylsulfamoyl)propanoic acid.
What is the SMILES notation for 3-(2-piperidin-1-ylethylsulfamoyl)propanoic acid?
The canonical SMILES for 3-(2-piperidin-1-ylethylsulfamoyl)propanoic acid is O=C(O)CCS(=O)(=O)NCCN1CCCCC1.
What is the InChIKey of 3-(2-piperidin-1-ylethylsulfamoyl)propanoic acid?
The InChIKey is LBZVGRHPIYTVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c13-10(14)4-9-17(15,16)11-5-8-12-6-2-1-3-7-12/h11H,1-9H2,(H,13,14).
What are the key properties of 3-(2-piperidin-1-ylethylsulfamoyl)propanoic acid?
3-(2-piperidin-1-ylethylsulfamoyl)propanoic acid has a molecular weight of 264.35 g/mol, XLogP of -0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-1-ylethylsulfamoyl)propanoic acid is sourced from PubChem (CID 58659564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).