2-[1-(2-sulfamoylethylcarbamoyl)piperidin-2-yl]acetic acid

C10H19N3O5S — CID 61203013

IUPAC2-[1-(2-sulfamoylethylcarbamoyl)piperidin-2-yl]acetic acid
SMILESNS(=O)(=O)CCNC(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C10H19N3O5S/c11-19(17,18)6-4-12-10(16)13-5-2-1-3-8(13)7-9(14)15/h8H,1-7H2,(H,12,16)(H,14,15)(H2,11,17,18)
InChIKeyLIIWBTSKGQXSJE-UHFFFAOYSA-N
MW293.35 g/mol
LogP-0.69
Rot. Bonds5

About 2-[1-(2-sulfamoylethylcarbamoyl)piperidin-2-yl]acetic acid

2-[1-(2-sulfamoylethylcarbamoyl)piperidin-2-yl]acetic acid (PubChem CID 61203013) has the molecular formula C10H19N3O5S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-[1-(2-sulfamoylethylcarbamoyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-sulfamoylethylcarbamoyl)piperidin-2-yl]acetic acid
PubChem CID61203013
Molecular FormulaC10H19N3O5S
Molecular Weight293.35 g/mol
Exact Mass293.10
IUPAC Name2-[1-(2-sulfamoylethylcarbamoyl)piperidin-2-yl]acetic acid
SMILESNS(=O)(=O)CCNC(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C10H19N3O5S/c11-19(17,18)6-4-12-10(16)13-5-2-1-3-8(13)7-9(14)15/h8H,1-7H2,(H,12,16)(H,14,15)(H2,11,17,18)
InChIKeyLIIWBTSKGQXSJE-UHFFFAOYSA-N
XLogP-0.69
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-carbamoyloxyethylcarbamoyl)piperidin-2-yl]acetic acid
CID 83204570
2-[1-(2-cyclohexylethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61206283
2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010692
2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-2-yl]acetic acid
CID 106005378
2-[1-(cyclobutylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61197423
2-[1-[3-(methylamino)propylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61404883
2-[1-(2-methylprop-2-enylcarbamoyl)piperidin-2-yl]acetic acid
CID 114618094
2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 83114337
2-[1-[(1-methylcyclopropyl)methylcarbamoyl]piperidin-2-yl]acetic acid
CID 114101416
2-[1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61372331
2-[1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidin-2-yl]acetic acid
CID 63833186
2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010694

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-sulfamoylethylcarbamoyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-sulfamoylethylcarbamoyl)piperidin-2-yl]acetic acid (CID 61203013) is 2-[1-(2-sulfamoylethylcarbamoyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-sulfamoylethylcarbamoyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-sulfamoylethylcarbamoyl)piperidin-2-yl]acetic acid is NS(=O)(=O)CCNC(=O)N1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-(2-sulfamoylethylcarbamoyl)piperidin-2-yl]acetic acid?
The InChIKey is LIIWBTSKGQXSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5S/c11-19(17,18)6-4-12-10(16)13-5-2-1-3-8(13)7-9(14)15/h8H,1-7H2,(H,12,16)(H,14,15)(H2,11,17,18).
What are the key properties of 2-[1-(2-sulfamoylethylcarbamoyl)piperidin-2-yl]acetic acid?
2-[1-(2-sulfamoylethylcarbamoyl)piperidin-2-yl]acetic acid has a molecular weight of 293.35 g/mol, XLogP of -0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-sulfamoylethylcarbamoyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 61203013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).