5-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid

C13H19N3O4S — CID 81092682

IUPAC5-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid
SMILESCC1CCCN(S(=O)(=O)NCc2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C13H19N3O4S/c1-10-3-2-6-16(9-10)21(19,20)15-8-11-4-5-12(13(17)18)14-7-11/h4-5,7,10,15H,2-3,6,8-9H2,1H3,(H,17,18)
InChIKeyQUMHBSSINHZQAK-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.85
Rot. Bonds5

About 5-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid

5-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid (PubChem CID 81092682) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 5-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid
PubChem CID81092682
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name5-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid
SMILESCC1CCCN(S(=O)(=O)NCc2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C13H19N3O4S/c1-10-3-2-6-16(9-10)21(19,20)15-8-11-4-5-12(13(17)18)14-7-11/h4-5,7,10,15H,2-3,6,8-9H2,1H3,(H,17,18)
InChIKeyQUMHBSSINHZQAK-UHFFFAOYSA-N
XLogP0.85
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide
CID 95761624
4-[[[(3R)-3-methylpyrrolidin-1-yl]sulfonylamino]methyl]benzoic acid
CID 129466996
(3S)-3-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide
CID 35323796
N-[5-(aminomethyl)-2-pyridinyl]-3-methylpiperidine-1-sulfonamide
CID 62354332
(3R)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-sulfonamide
CID 35609636
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
(3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 35296389
(3R)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methylpiperidine-1-sulfonamide
CID 100879746
2-[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-(2-phenylethyl)acetamide
CID 94809275
4-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79526114
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 71997194
(3S)-N-benzyl-3-(pyridine-2-carbonyl)piperidine-1-sulfonamide
CID 95525317

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid (CID 81092682) is 5-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid is CC1CCCN(S(=O)(=O)NCc2ccc(C(=O)O)nc2)C1.
What is the InChIKey of 5-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid?
The InChIKey is QUMHBSSINHZQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-10-3-2-6-16(9-10)21(19,20)15-8-11-4-5-12(13(17)18)14-7-11/h4-5,7,10,15H,2-3,6,8-9H2,1H3,(H,17,18).
What are the key properties of 5-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid?
5-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid has a molecular weight of 313.38 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81092682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).