1-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]piperidine-2-carboxylic acid

C11H21N3O5S — CID 60926710

IUPAC1-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]piperidine-2-carboxylic acid
SMILESCN(C)C(=O)CCNS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C11H21N3O5S/c1-13(2)10(15)6-7-12-20(18,19)14-8-4-3-5-9(14)11(16)17/h9,12H,3-8H2,1-2H3,(H,16,17)
InChIKeyKTWDJUNDYWQYLY-UHFFFAOYSA-N
MW307.37 g/mol
LogP-0.76
Rot. Bonds6

About 1-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]piperidine-2-carboxylic acid

1-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]piperidine-2-carboxylic acid (PubChem CID 60926710) has the molecular formula C11H21N3O5S and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]piperidine-2-carboxylic acid
PubChem CID60926710
Molecular FormulaC11H21N3O5S
Molecular Weight307.37 g/mol
Exact Mass307.12
IUPAC Name1-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]piperidine-2-carboxylic acid
SMILESCN(C)C(=O)CCNS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C11H21N3O5S/c1-13(2)10(15)6-7-12-20(18,19)14-8-4-3-5-9(14)11(16)17/h9,12H,3-8H2,1-2H3,(H,16,17)
InChIKeyKTWDJUNDYWQYLY-UHFFFAOYSA-N
XLogP-0.76
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-2-carboxylic acid
CID 60857946
1-[2-[ethyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid
CID 62640696
1-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]piperidine-2-carboxylic acid
CID 62976287
1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid
CID 54931954
1-(butylsulfamoyl)piperidine-2-carboxylic acid
CID 60857762
1-(pentylsulfamoyl)piperidine-2-carboxylic acid
CID 60857759
1-[2-(carbamoylamino)ethylsulfamoyl]piperidine-2-carboxylic acid
CID 83116927
1-[3-(methylamino)propylsulfamoyl]piperidine-2-carboxylic acid
CID 61403826
1-(4-hydroxypentylsulfamoyl)piperidine-2-carboxylic acid
CID 106120554
1-(cyclopentylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 60857626
1-(2,2-diethoxyethylsulfamoyl)piperidine-2-carboxylic acid
CID 79538538
1-[(3-hydroxy-4-methoxybutyl)sulfamoyl]piperidine-2-carboxylic acid
CID 106244592

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]piperidine-2-carboxylic acid (CID 60926710) is 1-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]piperidine-2-carboxylic acid is CN(C)C(=O)CCNS(=O)(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]piperidine-2-carboxylic acid?
The InChIKey is KTWDJUNDYWQYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5S/c1-13(2)10(15)6-7-12-20(18,19)14-8-4-3-5-9(14)11(16)17/h9,12H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 1-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]piperidine-2-carboxylic acid?
1-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]piperidine-2-carboxylic acid has a molecular weight of 307.37 g/mol, XLogP of -0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 60926710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).