2-(2,6-dioxopiperidin-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide

C16H23N5O5S — CID 122318899

IUPAC2-(2,6-dioxopiperidin-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide
SMILESO=C1CCCC(=O)N1CCS(=O)(=O)NCc1nccc(N2CCOCC2)n1
InChIInChI=1S/C16H23N5O5S/c22-15-2-1-3-16(23)21(15)8-11-27(24,25)18-12-13-17-5-4-14(19-13)20-6-9-26-10-7-20/h4-5,18H,1-3,6-12H2
InChIKeyWUAVNCQLTVBEOE-UHFFFAOYSA-N
MW397.46 g/mol
LogP-0.73
Rot. Bonds7

About 2-(2,6-dioxopiperidin-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide

2-(2,6-dioxopiperidin-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide (PubChem CID 122318899) has the molecular formula C16H23N5O5S and a molecular weight of 397.46 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide
PubChem CID122318899
Molecular FormulaC16H23N5O5S
Molecular Weight397.46 g/mol
Exact Mass397.14
IUPAC Name2-(2,6-dioxopiperidin-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide
SMILESO=C1CCCC(=O)N1CCS(=O)(=O)NCc1nccc(N2CCOCC2)n1
InChIInChI=1S/C16H23N5O5S/c22-15-2-1-3-16(23)21(15)8-11-27(24,25)18-12-13-17-5-4-14(19-13)20-6-9-26-10-7-20/h4-5,18H,1-3,6-12H2
InChIKeyWUAVNCQLTVBEOE-UHFFFAOYSA-N
XLogP-0.73
TPSA121.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(2,6-dioxopiperidin-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide 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

2-(2,6-dioxopiperidin-1-yl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide
CID 122319174
1-(3,5-difluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide
CID 122318923
1-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide
CID 122318932
1-(1,2-benzoxazol-3-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide
CID 122318950
2,6-difluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318910
(E)-2-(4-methylphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethenesulfonamide
CID 122318920
4-ethoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 91966800
3,5-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 72718132
2-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide
CID 72718086
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-oxochromene-2-carboxamide
CID 122318781
N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 72718077
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pentanamide
CID 72718087

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide?
The IUPAC name of 2-(2,6-dioxopiperidin-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide (CID 122318899) is 2-(2,6-dioxopiperidin-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-(2,6-dioxopiperidin-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2-(2,6-dioxopiperidin-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide is O=C1CCCC(=O)N1CCS(=O)(=O)NCc1nccc(N2CCOCC2)n1.
What is the InChIKey of 2-(2,6-dioxopiperidin-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide?
The InChIKey is WUAVNCQLTVBEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O5S/c22-15-2-1-3-16(23)21(15)8-11-27(24,25)18-12-13-17-5-4-14(19-13)20-6-9-26-10-7-20/h4-5,18H,1-3,6-12H2.
What are the key properties of 2-(2,6-dioxopiperidin-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide?
2-(2,6-dioxopiperidin-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide has a molecular weight of 397.46 g/mol, XLogP of -0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 122318899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).