3-[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]benzoic acid

C15H19NO4S — CID 97191593

IUPAC3-[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]benzoic acid
SMILESO=C(O)c1cccc([C@H]2CCCN(S(=O)(=O)C3CC3)C2)c1
InChIInChI=1S/C15H19NO4S/c17-15(18)12-4-1-3-11(9-12)13-5-2-8-16(10-13)21(19,20)14-6-7-14/h1,3-4,9,13-14H,2,5-8,10H2,(H,17,18)/t13-/m0/s1
InChIKeyOWIAZJSQGBGOEY-ZDUSSCGKSA-N
MW309.39 g/mol
LogP2.06
Rot. Bonds4

About 3-[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]benzoic acid

3-[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]benzoic acid (PubChem CID 97191593) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]benzoic acid.

Molecular Properties

Compound Name3-[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]benzoic acid
PubChem CID97191593
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name3-[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]benzoic acid
SMILESO=C(O)c1cccc([C@H]2CCCN(S(=O)(=O)C3CC3)C2)c1
InChIInChI=1S/C15H19NO4S/c17-15(18)12-4-1-3-11(9-12)13-5-2-8-16(10-13)21(19,20)14-6-7-14/h1,3-4,9,13-14H,2,5-8,10H2,(H,17,18)/t13-/m0/s1
InChIKeyOWIAZJSQGBGOEY-ZDUSSCGKSA-N
XLogP2.06
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3R)-1-methylsulfonylpiperidin-3-yl]benzoic acid
CID 97208003
1-[(3R)-3-(3-carboxyphenyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid
CID 97209556
3-[1-(4-methylpiperazin-1-yl)sulfonylpiperidin-3-yl]benzoic acid
CID 72918439
3-[(3R)-1-(4,4-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]benzoic acid
CID 97187404
3-[(3R)-1-[ethyl(methyl)sulfamoyl]piperidin-3-yl]benzoic acid
CID 97195906
3-[(3S)-1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidin-3-yl]benzoic acid
CID 97210347
3-(1-methylsulfonylazetidin-3-yl)benzoic acid
CID 170992355
3-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid
CID 97202781
3-[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid
CID 97202782
3-[1-(2-ethylpyrazol-3-yl)sulfonylpiperidin-3-yl]benzoic acid
CID 72875109
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzoic acid
CID 50742353
3-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]benzoic acid
CID 72871214

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]benzoic acid?
The IUPAC name of 3-[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]benzoic acid (CID 97191593) is 3-[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]benzoic acid.
What is the SMILES notation for 3-[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]benzoic acid?
The canonical SMILES for 3-[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]benzoic acid is O=C(O)c1cccc([C@H]2CCCN(S(=O)(=O)C3CC3)C2)c1.
What is the InChIKey of 3-[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]benzoic acid?
The InChIKey is OWIAZJSQGBGOEY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19NO4S/c17-15(18)12-4-1-3-11(9-12)13-5-2-8-16(10-13)21(19,20)14-6-7-14/h1,3-4,9,13-14H,2,5-8,10H2,(H,17,18)/t13-/m0/s1.
What are the key properties of 3-[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]benzoic acid?
3-[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]benzoic acid has a molecular weight of 309.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]benzoic acid is sourced from PubChem (CID 97191593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).