(2R,6R)-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide

C16H27N5O4S — CID 129328277

IUPAC(2R,6R)-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESCc1cc(N2CCC[C@H](NS(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)C2=O)n(C)n1
InChIInChI=1S/C16H27N5O4S/c1-11-8-15(19(4)17-11)21-7-5-6-14(16(21)22)18-26(23,24)20-9-12(2)25-13(3)10-20/h8,12-14,18H,5-7,9-10H2,1-4H3/t12-,13-,14+/m1/s1
InChIKeyYYBDFVWJEXTMBW-MCIONIFRSA-N
MW385.49 g/mol
LogP0.17
Rot. Bonds4

About (2R,6R)-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide

(2R,6R)-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 129328277) has the molecular formula C16H27N5O4S and a molecular weight of 385.49 g/mol. Its IUPAC name is (2R,6R)-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name(2R,6R)-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID129328277
Molecular FormulaC16H27N5O4S
Molecular Weight385.49 g/mol
Exact Mass385.18
IUPAC Name(2R,6R)-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESCc1cc(N2CCC[C@H](NS(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)C2=O)n(C)n1
InChIInChI=1S/C16H27N5O4S/c1-11-8-15(19(4)17-11)21-7-5-6-14(16(21)22)18-26(23,24)20-9-12(2)25-13(3)10-20/h8,12-14,18H,5-7,9-10H2,1-4H3/t12-,13-,14+/m1/s1
InChIKeyYYBDFVWJEXTMBW-MCIONIFRSA-N
XLogP0.17
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,6R)-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of (2R,6R)-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide (CID 129328277) is (2R,6R)-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for (2R,6R)-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for (2R,6R)-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide is Cc1cc(N2CCC[C@H](NS(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)C2=O)n(C)n1.
What is the InChIKey of (2R,6R)-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is YYBDFVWJEXTMBW-MCIONIFRSA-N. The full InChI is InChI=1S/C16H27N5O4S/c1-11-8-15(19(4)17-11)21-7-5-6-14(16(21)22)18-26(23,24)20-9-12(2)25-13(3)10-20/h8,12-14,18H,5-7,9-10H2,1-4H3/t12-,13-,14+/m1/s1.
What are the key properties of (2R,6R)-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide?
(2R,6R)-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 385.49 g/mol, XLogP of 0.17, 4 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-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 129328277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).