5-methyl-1-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperidine-3-carboxylic acid

C17H27N3O4S — CID 122106763

IUPAC5-methyl-1-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperidine-3-carboxylic acid
SMILESCCC(CC)NS(=O)(=O)c1ccc(N2CC(C)CC(C(=O)O)C2)nc1
InChIInChI=1S/C17H27N3O4S/c1-4-14(5-2)19-25(23,24)15-6-7-16(18-9-15)20-10-12(3)8-13(11-20)17(21)22/h6-7,9,12-14,19H,4-5,8,10-11H2,1-3H3,(H,21,22)
InChIKeyHTZSKGSJLKOBEH-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.10
Rot. Bonds7

About 5-methyl-1-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperidine-3-carboxylic acid

5-methyl-1-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperidine-3-carboxylic acid (PubChem CID 122106763) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 5-methyl-1-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperidine-3-carboxylic acid
PubChem CID122106763
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name5-methyl-1-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperidine-3-carboxylic acid
SMILESCCC(CC)NS(=O)(=O)c1ccc(N2CC(C)CC(C(=O)O)C2)nc1
InChIInChI=1S/C17H27N3O4S/c1-4-14(5-2)19-25(23,24)15-6-7-16(18-9-15)20-10-12(3)8-13(11-20)17(21)22/h6-7,9,12-14,19H,4-5,8,10-11H2,1-3H3,(H,21,22)
InChIKeyHTZSKGSJLKOBEH-UHFFFAOYSA-N
XLogP2.10
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-pentan-3-ylpyridine-3-sulfonamide
CID 133305726
N-cyclopropyl-2-[4-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 55816286
5-methyl-1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 122106740
2-hydroxy-2-methyl-3-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
CID 122060999
6-amino-N-pentan-3-ylpyridine-3-sulfonamide
CID 62148993
1-(6-ethyl-2-methylpyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106701
2-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
CID 122058332
1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid
CID 122064558
3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
CID 122059482
[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 61257054
4-[[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 82034786
(3R)-1-[5-(3-methylbutylsulfamoyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 95327429

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperidine-3-carboxylic acid (CID 122106763) is 5-methyl-1-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperidine-3-carboxylic acid is CCC(CC)NS(=O)(=O)c1ccc(N2CC(C)CC(C(=O)O)C2)nc1.
What is the InChIKey of 5-methyl-1-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperidine-3-carboxylic acid?
The InChIKey is HTZSKGSJLKOBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-4-14(5-2)19-25(23,24)15-6-7-16(18-9-15)20-10-12(3)8-13(11-20)17(21)22/h6-7,9,12-14,19H,4-5,8,10-11H2,1-3H3,(H,21,22).
What are the key properties of 5-methyl-1-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperidine-3-carboxylic acid?
5-methyl-1-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperidine-3-carboxylic acid has a molecular weight of 369.49 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122106763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).