1-[(2-amino-2-oxoethoxy)sulfamoyl]piperidine-4-carboxylic acid

C8H15N3O6S — CID 112672372

IUPAC1-[(2-amino-2-oxoethoxy)sulfamoyl]piperidine-4-carboxylic acid
SMILESNC(=O)CONS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C8H15N3O6S/c9-7(12)5-17-10-18(15,16)11-3-1-6(2-4-11)8(13)14/h6,10H,1-5H2,(H2,9,12)(H,13,14)
InChIKeyBAZAJGBDLBNKEF-UHFFFAOYSA-N
MW281.29 g/mol
LogP-1.97
Rot. Bonds6

About 1-[(2-amino-2-oxoethoxy)sulfamoyl]piperidine-4-carboxylic acid

1-[(2-amino-2-oxoethoxy)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 112672372) has the molecular formula C8H15N3O6S and a molecular weight of 281.29 g/mol. Its IUPAC name is 1-[(2-amino-2-oxoethoxy)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-amino-2-oxoethoxy)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID112672372
Molecular FormulaC8H15N3O6S
Molecular Weight281.29 g/mol
Exact Mass281.07
IUPAC Name1-[(2-amino-2-oxoethoxy)sulfamoyl]piperidine-4-carboxylic acid
SMILESNC(=O)CONS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C8H15N3O6S/c9-7(12)5-17-10-18(15,16)11-3-1-6(2-4-11)8(13)14/h6,10H,1-5H2,(H2,9,12)(H,13,14)
InChIKeyBAZAJGBDLBNKEF-UHFFFAOYSA-N
XLogP-1.97
TPSA139.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 5-1.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]piperidine-4-carboxylic acid
CID 107216371
1-[(2-methoxy-2-oxoethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858730
1-(ethoxysulfamoyl)piperidine-3-carboxylic acid
CID 62032210
1-(2,2-diethoxyethylsulfamoyl)piperidine-4-carboxylic acid
CID 79538536
1-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]piperidine-4-carboxylic acid
CID 106359363
1-(2-methylbutylsulfamoyl)piperidine-4-carboxylic acid
CID 62693712
1-(2-cyclopentyloxyethylsulfamoyl)piperidine-4-carboxylic acid
CID 63827325
1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858282
1-(2-cyclopentylethylsulfamoyl)piperidine-4-carboxylic acid
CID 60920685
1-(4-hydroxybutan-2-ylsulfamoyl)piperidine-4-carboxylic acid
CID 83177957
1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-4-carboxylic acid
CID 60857789
4-[(pyrrolidin-1-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525053

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-2-oxoethoxy)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-amino-2-oxoethoxy)sulfamoyl]piperidine-4-carboxylic acid (CID 112672372) is 1-[(2-amino-2-oxoethoxy)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-amino-2-oxoethoxy)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-amino-2-oxoethoxy)sulfamoyl]piperidine-4-carboxylic acid is NC(=O)CONS(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(2-amino-2-oxoethoxy)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is BAZAJGBDLBNKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O6S/c9-7(12)5-17-10-18(15,16)11-3-1-6(2-4-11)8(13)14/h6,10H,1-5H2,(H2,9,12)(H,13,14).
What are the key properties of 1-[(2-amino-2-oxoethoxy)sulfamoyl]piperidine-4-carboxylic acid?
1-[(2-amino-2-oxoethoxy)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 281.29 g/mol, XLogP of -1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-2-oxoethoxy)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 112672372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).