(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid

C11H17N3O4S — CID 7026133

IUPAC(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCc1nn(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C11H17N3O4S/c1-8-10(7-13(2)12-8)19(17,18)14-5-3-4-9(6-14)11(15)16/h7,9H,3-6H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyDQMYSNIYBRSFDO-VIFPVBQESA-N
MW287.34 g/mol
LogP0.21
Rot. Bonds3

About (3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid

(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid (PubChem CID 7026133) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is (3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
PubChem CID7026133
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCc1nn(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C11H17N3O4S/c1-8-10(7-13(2)12-8)19(17,18)14-5-3-4-9(6-14)11(15)16/h7,9H,3-6H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyDQMYSNIYBRSFDO-VIFPVBQESA-N
XLogP0.21
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 7017717
1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxylic acid
CID 3164934
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122106212
4-[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid
CID 97191248
(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-3-carboxamide
CID 92626936
(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 79001470
(3S)-1-(4-chloro-2-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 78923457
1-(2,5-dibromo-4-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 81320361
2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole
CID 124997319
(3S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide
CID 7026078
(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide
CID 40822913
1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 2971952

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid (CID 7026133) is (3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid is Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid?
The InChIKey is DQMYSNIYBRSFDO-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-8-10(7-13(2)12-8)19(17,18)14-5-3-4-9(6-14)11(15)16/h7,9H,3-6H2,1-2H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid?
(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid has a molecular weight of 287.34 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 7026133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).