(2R)-1-[(2S)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid

C15H24N4O5S — CID 97323918

IUPAC(2R)-1-[(2S)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid
SMILESCc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C15H24N4O5S/c1-9-13(11(3)18(4)16-9)25(23,24)17-10(2)14(20)19-8-6-5-7-12(19)15(21)22/h10,12,17H,5-8H2,1-4H3,(H,21,22)/t10-,12+/m0/s1
InChIKeyRRWONQIPIBQMEK-CMPLNLGQSA-N
MW372.45 g/mol
LogP0.17
Rot. Bonds5

About (2R)-1-[(2S)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid

(2R)-1-[(2S)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid (PubChem CID 97323918) has the molecular formula C15H24N4O5S and a molecular weight of 372.45 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid
PubChem CID97323918
Molecular FormulaC15H24N4O5S
Molecular Weight372.45 g/mol
Exact Mass372.15
IUPAC Name(2R)-1-[(2S)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid
SMILESCc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C15H24N4O5S/c1-9-13(11(3)18(4)16-9)25(23,24)17-10(2)14(20)19-8-6-5-7-12(19)15(21)22/h10,12,17H,5-8H2,1-4H3,(H,21,22)/t10-,12+/m0/s1
InChIKeyRRWONQIPIBQMEK-CMPLNLGQSA-N
XLogP0.17
TPSA121.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[(2S)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid with MolForge

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Related Compounds

(2R)-1-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119370543
1,3,5-trimethyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide
CID 95281378
1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid
CID 119175927
1,3,5-trimethyl-N-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide
CID 155947004
1-[2-[(4-chlorophenyl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid
CID 119176050
(2R)-1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119372128
N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 120818233
N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
CID 119415813
N,N-dimethyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
CID 47372336
N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclohexanecarbohydrazide
CID 8823100
(2R)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxylic acid
CID 103953818
2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]acetic acid
CID 119171432

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(2S)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid (CID 97323918) is (2R)-1-[(2S)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(2S)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(2S)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid is Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[(2S)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid?
The InChIKey is RRWONQIPIBQMEK-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H24N4O5S/c1-9-13(11(3)18(4)16-9)25(23,24)17-10(2)14(20)19-8-6-5-7-12(19)15(21)22/h10,12,17H,5-8H2,1-4H3,(H,21,22)/t10-,12+/m0/s1.
What are the key properties of (2R)-1-[(2S)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid?
(2R)-1-[(2S)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid has a molecular weight of 372.45 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 97323918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).