1-[3-(methylamino)propylsulfamoyl]piperidine-2-carboxylic acid

C10H21N3O4S — CID 61403826

IUPAC1-[3-(methylamino)propylsulfamoyl]piperidine-2-carboxylic acid
SMILESCNCCCNS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C10H21N3O4S/c1-11-6-4-7-12-18(16,17)13-8-3-2-5-9(13)10(14)15/h9,11-12H,2-8H2,1H3,(H,14,15)
InChIKeyHJUAEVJYFGUISI-UHFFFAOYSA-N
MW279.36 g/mol
LogP-0.63
Rot. Bonds7

About 1-[3-(methylamino)propylsulfamoyl]piperidine-2-carboxylic acid

1-[3-(methylamino)propylsulfamoyl]piperidine-2-carboxylic acid (PubChem CID 61403826) has the molecular formula C10H21N3O4S and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-[3-(methylamino)propylsulfamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(methylamino)propylsulfamoyl]piperidine-2-carboxylic acid
PubChem CID61403826
Molecular FormulaC10H21N3O4S
Molecular Weight279.36 g/mol
Exact Mass279.13
IUPAC Name1-[3-(methylamino)propylsulfamoyl]piperidine-2-carboxylic acid
SMILESCNCCCNS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C10H21N3O4S/c1-11-6-4-7-12-18(16,17)13-8-3-2-5-9(13)10(14)15/h9,11-12H,2-8H2,1H3,(H,14,15)
InChIKeyHJUAEVJYFGUISI-UHFFFAOYSA-N
XLogP-0.63
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(methylamino)propylsulfamoyl]piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(butylsulfamoyl)piperidine-2-carboxylic acid
CID 60857762
1-(pentylsulfamoyl)piperidine-2-carboxylic acid
CID 60857759
1-(4-hydroxypentylsulfamoyl)piperidine-2-carboxylic acid
CID 106120554
1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid
CID 54931954
1-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]piperidine-2-carboxylic acid
CID 60926710
1-[2-(carbamoylamino)ethylsulfamoyl]piperidine-2-carboxylic acid
CID 83116927
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-(cyclopentylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 60857626
1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-2-carboxylic acid
CID 60857946
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-(methylamino)propylsulfamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[3-(methylamino)propylsulfamoyl]piperidine-2-carboxylic acid (CID 61403826) is 1-[3-(methylamino)propylsulfamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(methylamino)propylsulfamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(methylamino)propylsulfamoyl]piperidine-2-carboxylic acid is CNCCCNS(=O)(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[3-(methylamino)propylsulfamoyl]piperidine-2-carboxylic acid?
The InChIKey is HJUAEVJYFGUISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4S/c1-11-6-4-7-12-18(16,17)13-8-3-2-5-9(13)10(14)15/h9,11-12H,2-8H2,1H3,(H,14,15).
What are the key properties of 1-[3-(methylamino)propylsulfamoyl]piperidine-2-carboxylic acid?
1-[3-(methylamino)propylsulfamoyl]piperidine-2-carboxylic acid has a molecular weight of 279.36 g/mol, XLogP of -0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)propylsulfamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 61403826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).