1-(dimethylaminosulfamoyl)piperidine-3-carboxylic acid

C8H17N3O4S — CID 83003975

IUPAC1-(dimethylaminosulfamoyl)piperidine-3-carboxylic acid
SMILESCN(C)NS(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C8H17N3O4S/c1-10(2)9-16(14,15)11-5-3-4-7(6-11)8(12)13/h7,9H,3-6H2,1-2H3,(H,12,13)
InChIKeyRLCBRHVTCJLAAR-UHFFFAOYSA-N
MW251.31 g/mol
LogP-0.91
Rot. Bonds4

About 1-(dimethylaminosulfamoyl)piperidine-3-carboxylic acid

1-(dimethylaminosulfamoyl)piperidine-3-carboxylic acid (PubChem CID 83003975) has the molecular formula C8H17N3O4S and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-(dimethylaminosulfamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(dimethylaminosulfamoyl)piperidine-3-carboxylic acid
PubChem CID83003975
Molecular FormulaC8H17N3O4S
Molecular Weight251.31 g/mol
Exact Mass251.09
IUPAC Name1-(dimethylaminosulfamoyl)piperidine-3-carboxylic acid
SMILESCN(C)NS(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C8H17N3O4S/c1-10(2)9-16(14,15)11-5-3-4-7(6-11)8(12)13/h7,9H,3-6H2,1-2H3,(H,12,13)
InChIKeyRLCBRHVTCJLAAR-UHFFFAOYSA-N
XLogP-0.91
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(ethoxysulfamoyl)piperidine-3-carboxylic acid
CID 62032210
(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068
1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]piperidine-3-carboxylic acid
CID 107848198
(3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid
CID 104929168
1-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858440
(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104978646
1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid
CID 106334906
1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 113227859
1-(2-methylsulfanylethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858603
1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 102903673
1-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)piperidine-3-carboxylic acid
CID 61473233
1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104759129

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylaminosulfamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(dimethylaminosulfamoyl)piperidine-3-carboxylic acid (CID 83003975) is 1-(dimethylaminosulfamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(dimethylaminosulfamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(dimethylaminosulfamoyl)piperidine-3-carboxylic acid is CN(C)NS(=O)(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(dimethylaminosulfamoyl)piperidine-3-carboxylic acid?
The InChIKey is RLCBRHVTCJLAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O4S/c1-10(2)9-16(14,15)11-5-3-4-7(6-11)8(12)13/h7,9H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 1-(dimethylaminosulfamoyl)piperidine-3-carboxylic acid?
1-(dimethylaminosulfamoyl)piperidine-3-carboxylic acid has a molecular weight of 251.31 g/mol, XLogP of -0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylaminosulfamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 83003975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).