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

C16H27N5O4S — CID 154749426

IUPACN-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylmorpholine-4-sulfonamide
SMILESCc1cc(N2CCCC(NS(=O)(=O)N3CC(C)OCC3C)C2=O)n(C)n1
InChIInChI=1S/C16H27N5O4S/c1-11-8-15(19(4)17-11)20-7-5-6-14(16(20)22)18-26(23,24)21-9-13(3)25-10-12(21)2/h8,12-14,18H,5-7,9-10H2,1-4H3
InChIKeyFOUZEDDBSGNZQZ-UHFFFAOYSA-N
MW385.49 g/mol
LogP0.17
Rot. Bonds4

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

N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylmorpholine-4-sulfonamide (PubChem CID 154749426) has the molecular formula C16H27N5O4S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylmorpholine-4-sulfonamide
PubChem CID154749426
Molecular FormulaC16H27N5O4S
Molecular Weight385.49 g/mol
Exact Mass385.18
IUPAC NameN-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylmorpholine-4-sulfonamide
SMILESCc1cc(N2CCCC(NS(=O)(=O)N3CC(C)OCC3C)C2=O)n(C)n1
InChIInChI=1S/C16H27N5O4S/c1-11-8-15(19(4)17-11)20-7-5-6-14(16(20)22)18-26(23,24)21-9-13(3)25-10-12(21)2/h8,12-14,18H,5-7,9-10H2,1-4H3
InChIKeyFOUZEDDBSGNZQZ-UHFFFAOYSA-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

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Related Compounds

(2R,6R)-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide
CID 129328277
4-chloro-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-methylpyrazole-5-sulfonamide
CID 100649210
N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide
CID 128993643
N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-(oxan-4-yl)methanesulfonamide
CID 75494366
4-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 129470983
3-[[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]benzamide
CID 129470991
(2S)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-phenylpropane-1-sulfonamide
CID 129325928
(3R)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-methylazepane-1-carboxamide
CID 124618097
N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]quinoline-6-sulfonamide
CID 127397792
(2R,5S)-N-[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,5-dimethylmorpholine-4-sulfonamide
CID 129326756
1-(3,3-difluorocyclobutyl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea
CID 136536189
N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-difluorobenzamide
CID 75512322

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylmorpholine-4-sulfonamide?
The IUPAC name of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylmorpholine-4-sulfonamide (CID 154749426) is N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylmorpholine-4-sulfonamide is Cc1cc(N2CCCC(NS(=O)(=O)N3CC(C)OCC3C)C2=O)n(C)n1.
What is the InChIKey of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylmorpholine-4-sulfonamide?
The InChIKey is FOUZEDDBSGNZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O4S/c1-11-8-15(19(4)17-11)20-7-5-6-14(16(20)22)18-26(23,24)21-9-13(3)25-10-12(21)2/h8,12-14,18H,5-7,9-10H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylmorpholine-4-sulfonamide?
N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-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 N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 154749426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).