1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-4-carboxylic acid

C10H19N3O5S — CID 60857789

IUPAC1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-4-carboxylic acid
SMILESCN(C)C(=O)CNS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H19N3O5S/c1-12(2)9(14)7-11-19(17,18)13-5-3-8(4-6-13)10(15)16/h8,11H,3-7H2,1-2H3,(H,15,16)
InChIKeyFMVAAFZMADXYIA-UHFFFAOYSA-N
MW293.34 g/mol
LogP-1.29
Rot. Bonds5

About 1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-4-carboxylic acid

1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 60857789) has the molecular formula C10H19N3O5S and a molecular weight of 293.34 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-4-carboxylic acid
PubChem CID60857789
Molecular FormulaC10H19N3O5S
Molecular Weight293.34 g/mol
Exact Mass293.10
IUPAC Name1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-4-carboxylic acid
SMILESCN(C)C(=O)CNS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H19N3O5S/c1-12(2)9(14)7-11-19(17,18)13-5-3-8(4-6-13)10(15)16/h8,11H,3-7H2,1-2H3,(H,15,16)
InChIKeyFMVAAFZMADXYIA-UHFFFAOYSA-N
XLogP-1.29
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methoxy-2-oxoethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858730
1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-2-carboxylic acid
CID 60857946
1-(2,2-diethoxyethylsulfamoyl)piperidine-4-carboxylic acid
CID 79538536
1-(hexylsulfamoyl)piperidine-4-carboxylic acid
CID 60858433
1-(2-methylbutylsulfamoyl)piperidine-4-carboxylic acid
CID 62693712
1-[(2-ethyl-2-hydroxybutyl)sulfamoyl]piperidine-4-carboxylic acid
CID 65105801
1-[hydroxy(methyl)sulfamoyl]piperidine-4-carboxylic acid
CID 130884423
1-(2-cyclopentylethylsulfamoyl)piperidine-4-carboxylic acid
CID 60920685
1-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]piperidine-4-carboxylic acid
CID 107216371
4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79524896
1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid
CID 81043165
1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858282

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-4-carboxylic acid (CID 60857789) is 1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-4-carboxylic acid is CN(C)C(=O)CNS(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is FMVAAFZMADXYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5S/c1-12(2)9(14)7-11-19(17,18)13-5-3-8(4-6-13)10(15)16/h8,11H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-4-carboxylic acid?
1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of -1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 60857789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).