1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidine-2-carboxylic acid

C13H21N3O4S — CID 62062316

IUPAC1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidine-2-carboxylic acid
SMILESCCCn1cc(S(=O)(=O)N2CCCCC2C(=O)O)nc1C
InChIInChI=1S/C13H21N3O4S/c1-3-7-15-9-12(14-10(15)2)21(19,20)16-8-5-4-6-11(16)13(17)18/h9,11H,3-8H2,1-2H3,(H,17,18)
InChIKeyQZHUPMJEUMAHGY-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.23
Rot. Bonds5

About 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidine-2-carboxylic acid

1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidine-2-carboxylic acid (PubChem CID 62062316) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidine-2-carboxylic acid
PubChem CID62062316
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidine-2-carboxylic acid
SMILESCCCn1cc(S(=O)(=O)N2CCCCC2C(=O)O)nc1C
InChIInChI=1S/C13H21N3O4S/c1-3-7-15-9-12(14-10(15)2)21(19,20)16-8-5-4-6-11(16)13(17)18/h9,11H,3-8H2,1-2H3,(H,17,18)
InChIKeyQZHUPMJEUMAHGY-UHFFFAOYSA-N
XLogP1.23
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidine-2-carboxylic acid (CID 62062316) is 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidine-2-carboxylic acid is CCCn1cc(S(=O)(=O)N2CCCCC2C(=O)O)nc1C.
What is the InChIKey of 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidine-2-carboxylic acid?
The InChIKey is QZHUPMJEUMAHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-3-7-15-9-12(14-10(15)2)21(19,20)16-8-5-4-6-11(16)13(17)18/h9,11H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidine-2-carboxylic acid?
1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidine-2-carboxylic acid has a molecular weight of 315.40 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-propylimidazol-4-yl)sulfonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 62062316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).