1-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)piperidine-3-carboxylic acid

C13H25N3O4S — CID 61473233

IUPAC1-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)piperidine-3-carboxylic acid
SMILESCC(CN1CCCC1)NS(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C13H25N3O4S/c1-11(9-15-6-2-3-7-15)14-21(19,20)16-8-4-5-12(10-16)13(17)18/h11-12,14H,2-10H2,1H3,(H,17,18)
InChIKeyMHIZMNFLIFCHRF-UHFFFAOYSA-N
MW319.43 g/mol
LogP0.10
Rot. Bonds6

About 1-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)piperidine-3-carboxylic acid

1-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)piperidine-3-carboxylic acid (PubChem CID 61473233) has the molecular formula C13H25N3O4S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)piperidine-3-carboxylic acid
PubChem CID61473233
Molecular FormulaC13H25N3O4S
Molecular Weight319.43 g/mol
Exact Mass319.16
IUPAC Name1-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)piperidine-3-carboxylic acid
SMILESCC(CN1CCCC1)NS(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C13H25N3O4S/c1-11(9-15-6-2-3-7-15)14-21(19,20)16-8-4-5-12(10-16)13(17)18/h11-12,14H,2-10H2,1H3,(H,17,18)
InChIKeyMHIZMNFLIFCHRF-UHFFFAOYSA-N
XLogP0.10
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(octan-2-ylsulfamoyl)piperidine-3-carboxylic acid
CID 60859129
1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]piperidine-3-carboxylic acid
CID 79254422
1-(2-methylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 62693713
1-[(4-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 66091534
1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 102903673
1-(4-methylpentylsulfamoyl)piperidine-3-carboxylic acid
CID 54914300
(3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid
CID 104929168
1-(2,3,3-trimethylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 83143229
1-(2-propan-2-yloxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104759129
1-(dimethylaminosulfamoyl)piperidine-3-carboxylic acid
CID 83003975
1-(ethoxysulfamoyl)piperidine-3-carboxylic acid
CID 62032210
1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]piperidine-3-carboxylic acid
CID 107848198

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)piperidine-3-carboxylic acid (CID 61473233) is 1-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)piperidine-3-carboxylic acid is CC(CN1CCCC1)NS(=O)(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)piperidine-3-carboxylic acid?
The InChIKey is MHIZMNFLIFCHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4S/c1-11(9-15-6-2-3-7-15)14-21(19,20)16-8-4-5-12(10-16)13(17)18/h11-12,14H,2-10H2,1H3,(H,17,18).
What are the key properties of 1-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)piperidine-3-carboxylic acid?
1-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)piperidine-3-carboxylic acid has a molecular weight of 319.43 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 61473233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).