(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid

C12H19N3O4S — CID 79001470

IUPAC(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C12H19N3O4S/c1-8-11(9(2)14(3)13-8)20(18,19)15-6-4-5-10(7-15)12(16)17/h10H,4-7H2,1-3H3,(H,16,17)/t10-/m0/s1
InChIKeyCJYNCJMQAGDWKJ-JTQLQIEISA-N
MW301.37 g/mol
LogP0.52
Rot. Bonds3

About (3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid

(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid (PubChem CID 79001470) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is (3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
PubChem CID79001470
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C12H19N3O4S/c1-8-11(9(2)14(3)13-8)20(18,19)15-6-4-5-10(7-15)12(16)17/h10H,4-7H2,1-3H3,(H,16,17)/t10-/m0/s1
InChIKeyCJYNCJMQAGDWKJ-JTQLQIEISA-N
XLogP0.52
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol
CID 66291193
(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
2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 121184119
1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanone
CID 29220037
(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 113282433
1-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylic acid
CID 122070283
1-(1,2-dimethylindol-3-yl)sulfonylpiperidine-3-carboxylic acid
CID 122070303
(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid
CID 104709718
1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxylic acid
CID 4290756
(3R)-1-(4-ethoxycarbonyl-1,2,5-trimethylpyrrol-3-yl)sulfonylpiperidine-3-carboxylic acid
CID 92863868
9-hydroxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazecan-4-one
CID 167796603

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid (CID 79001470) is (3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid is Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid?
The InChIKey is CJYNCJMQAGDWKJ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-8-11(9(2)14(3)13-8)20(18,19)15-6-4-5-10(7-15)12(16)17/h10H,4-7H2,1-3H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid?
(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid has a molecular weight of 301.37 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 79001470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).