4-[[(2-methylsulfonylpyrimidine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid

C13H18N4O5S — CID 90775535

IUPAC4-[[(2-methylsulfonylpyrimidine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid
SMILESCS(=O)(=O)c1nccc(C(=O)NCC2CCN(C(=O)O)CC2)n1
InChIInChI=1S/C13H18N4O5S/c1-23(21,22)12-14-5-2-10(16-12)11(18)15-8-9-3-6-17(7-4-9)13(19)20/h2,5,9H,3-4,6-8H2,1H3,(H,15,18)(H,19,20)
InChIKeyARMOZKOJLKVOIJ-UHFFFAOYSA-N
MW342.38 g/mol
LogP-0.00
Rot. Bonds4

About 4-[[(2-methylsulfonylpyrimidine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid

4-[[(2-methylsulfonylpyrimidine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid (PubChem CID 90775535) has the molecular formula C13H18N4O5S and a molecular weight of 342.38 g/mol. Its IUPAC name is 4-[[(2-methylsulfonylpyrimidine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2-methylsulfonylpyrimidine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid
PubChem CID90775535
Molecular FormulaC13H18N4O5S
Molecular Weight342.38 g/mol
Exact Mass342.10
IUPAC Name4-[[(2-methylsulfonylpyrimidine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid
SMILESCS(=O)(=O)c1nccc(C(=O)NCC2CCN(C(=O)O)CC2)n1
InChIInChI=1S/C13H18N4O5S/c1-23(21,22)12-14-5-2-10(16-12)11(18)15-8-9-3-6-17(7-4-9)13(19)20/h2,5,9H,3-4,6-8H2,1H3,(H,15,18)(H,19,20)
InChIKeyARMOZKOJLKVOIJ-UHFFFAOYSA-N
XLogP-0.00
TPSA129.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 154500129
benzyl 4-[[[2-(methylamino)pyrimidine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 58933693
4-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 90895817
4-[[(4-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid
CID 22135686
4-[[[4-(2-hydroxypropan-2-yl)benzoyl]amino]methyl]piperidine-1-carboxylic acid
CID 90981749
4-[[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 90695043
4-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 90818078
4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 91092314
4-[[[5-(4-methylsulfonylphenyl)-2-pyridinyl]amino]methyl]piperidine-1-carboxylic acid
CID 68862512
4-[(1,3-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 90706752
6-amino-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 62240688
4-[[[4-(1-nitrosoethyl)benzoyl]amino]methyl]piperidine-1-carboxylic acid
CID 91480032

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methylsulfonylpyrimidine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[(2-methylsulfonylpyrimidine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid (CID 90775535) is 4-[[(2-methylsulfonylpyrimidine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[(2-methylsulfonylpyrimidine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[(2-methylsulfonylpyrimidine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid is CS(=O)(=O)c1nccc(C(=O)NCC2CCN(C(=O)O)CC2)n1.
What is the InChIKey of 4-[[(2-methylsulfonylpyrimidine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid?
The InChIKey is ARMOZKOJLKVOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O5S/c1-23(21,22)12-14-5-2-10(16-12)11(18)15-8-9-3-6-17(7-4-9)13(19)20/h2,5,9H,3-4,6-8H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 4-[[(2-methylsulfonylpyrimidine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid?
4-[[(2-methylsulfonylpyrimidine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid has a molecular weight of 342.38 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methylsulfonylpyrimidine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 90775535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).