1-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]piperidine-3-carboxylic acid

C13H25N3O4S — CID 63207417

IUPAC1-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESCN(CCN1CCCC1)S(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C13H25N3O4S/c1-14(9-10-15-6-2-3-7-15)21(19,20)16-8-4-5-12(11-16)13(17)18/h12H,2-11H2,1H3,(H,17,18)
InChIKeyJJRMRBCACBIWBZ-UHFFFAOYSA-N
MW319.43 g/mol
LogP0.06
Rot. Bonds6

About 1-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]piperidine-3-carboxylic acid

1-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]piperidine-3-carboxylic acid (PubChem CID 63207417) has the molecular formula C13H25N3O4S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]piperidine-3-carboxylic acid
PubChem CID63207417
Molecular FormulaC13H25N3O4S
Molecular Weight319.43 g/mol
Exact Mass319.16
IUPAC Name1-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESCN(CCN1CCCC1)S(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C13H25N3O4S/c1-14(9-10-15-6-2-3-7-15)21(19,20)16-8-4-5-12(11-16)13(17)18/h12H,2-11H2,1H3,(H,17,18)
InChIKeyJJRMRBCACBIWBZ-UHFFFAOYSA-N
XLogP0.06
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-hydroxypentyl(methyl)sulfamoyl]piperidine-3-carboxylic acid
CID 107198691
1-(dipropylsulfamoyl)piperidine-3-carboxylic acid
CID 43169481
1-[cyclopropyl(propyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60857937
1-[cyclopropyl(ethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859891
1-[(2-hydroxycyclohexyl)-methylsulfamoyl]piperidine-3-carboxylic acid
CID 102631724
1-[cyclopropyl(2-hydroxyethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858615
1-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 112658011
1-[butan-2-yl(ethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60857619
1-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]piperidine-3-carboxylic acid
CID 64510644
1-(dimethylaminosulfamoyl)piperidine-3-carboxylic acid
CID 83003975
1-[(2-fluoro-5-methylphenyl)methyl-methylsulfamoyl]piperidine-3-carboxylic acid
CID 146092796
(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]piperidine-3-carboxylic acid (CID 63207417) is 1-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]piperidine-3-carboxylic acid is CN(CCN1CCCC1)S(=O)(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is JJRMRBCACBIWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4S/c1-14(9-10-15-6-2-3-7-15)21(19,20)16-8-4-5-12(11-16)13(17)18/h12H,2-11H2,1H3,(H,17,18).
What are the key properties of 1-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]piperidine-3-carboxylic acid?
1-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 319.43 g/mol, XLogP of 0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 63207417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).