(2R,6R)-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide

C16H27N5O4S — CID 129328061

IUPAC(2R,6R)-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESCCn1nccc1N1CCC[C@H](NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1=O
InChIInChI=1S/C16H27N5O4S/c1-4-21-15(7-8-17-21)20-9-5-6-14(16(20)22)18-26(23,24)19-10-12(2)25-13(3)11-19/h7-8,12-14,18H,4-6,9-11H2,1-3H3/t12-,13-,14+/m1/s1
InChIKeyYARPTIXYXFADAS-MCIONIFRSA-N
MW385.49 g/mol
LogP0.34
Rot. Bonds5

About (2R,6R)-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide

(2R,6R)-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 129328061) has the molecular formula C16H27N5O4S and a molecular weight of 385.49 g/mol. Its IUPAC name is (2R,6R)-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name(2R,6R)-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID129328061
Molecular FormulaC16H27N5O4S
Molecular Weight385.49 g/mol
Exact Mass385.18
IUPAC Name(2R,6R)-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESCCn1nccc1N1CCC[C@H](NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1=O
InChIInChI=1S/C16H27N5O4S/c1-4-21-15(7-8-17-21)20-9-5-6-14(16(20)22)18-26(23,24)19-10-12(2)25-13(3)11-19/h7-8,12-14,18H,4-6,9-11H2,1-3H3/t12-,13-,14+/m1/s1
InChIKeyYARPTIXYXFADAS-MCIONIFRSA-N
XLogP0.34
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,6R)-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-ethylpyrazol-3-yl)-2-oxopiperidine
CID 129399889
(2R,6R)-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide
CID 129328277
4-chloro-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzenesulfonamide
CID 128999336
N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-2-sulfonamide
CID 129327661
N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 129399900
5-chloro-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-2-sulfonamide
CID 129399904
6-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide
CID 129002559
N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-methylthiophene-3-carboxamide
CID 129488046
(3S)-1-(2-ethylpyrazol-3-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]piperidin-2-one
CID 100653585
N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-(oxolan-2-yl)methanesulfonamide
CID 129003523
1-(2,6-difluorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
CID 128999468
N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-1-sulfonamide
CID 129000198

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of (2R,6R)-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide (CID 129328061) is (2R,6R)-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for (2R,6R)-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for (2R,6R)-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide is CCn1nccc1N1CCC[C@H](NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1=O.
What is the InChIKey of (2R,6R)-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is YARPTIXYXFADAS-MCIONIFRSA-N. The full InChI is InChI=1S/C16H27N5O4S/c1-4-21-15(7-8-17-21)20-9-5-6-14(16(20)22)18-26(23,24)19-10-12(2)25-13(3)11-19/h7-8,12-14,18H,4-6,9-11H2,1-3H3/t12-,13-,14+/m1/s1.
What are the key properties of (2R,6R)-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide?
(2R,6R)-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 385.49 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 129328061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).