(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid

C10H15N3O4S — CID 104709718

IUPAC(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCn1nccc1S(=O)(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C10H15N3O4S/c1-12-9(4-5-11-12)18(16,17)13-6-2-3-8(7-13)10(14)15/h4-5,8H,2-3,6-7H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyKPSMQWNXTNHTAD-MRVPVSSYSA-N
MW273.31 g/mol
LogP-0.09
Rot. Bonds3

About (3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid

(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid (PubChem CID 104709718) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is (3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid
PubChem CID104709718
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCn1nccc1S(=O)(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C10H15N3O4S/c1-12-9(4-5-11-12)18(16,17)13-6-2-3-8(7-13)10(14)15/h4-5,8H,2-3,6-7H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyKPSMQWNXTNHTAD-MRVPVSSYSA-N
XLogP-0.09
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 104709610
N-(2-aminoethyl)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxamide
CID 104710243
1-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
CID 103004707
3-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-amine
CID 104710309
methyl 1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboxylate
CID 113444014
1-(furan-3-ylsulfonyl)piperidine-3-carboxylic acid
CID 120968848
(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 79001470
(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 7017717
(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 7026133
4-(methoxymethyl)-1-(2-methylpyrazol-3-yl)sulfonylazepane
CID 139013446
N'-hydroxy-4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboximidamide
CID 107162716
1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 23607546

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid (CID 104709718) is (3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid is Cn1nccc1S(=O)(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid?
The InChIKey is KPSMQWNXTNHTAD-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-12-9(4-5-11-12)18(16,17)13-6-2-3-8(7-13)10(14)15/h4-5,8H,2-3,6-7H2,1H3,(H,14,15)/t8-/m1/s1.
What are the key properties of (3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid?
(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 104709718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).