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

C17H25N5O5S — CID 122319174

IUPAC2-(2,6-dioxopiperidin-1-yl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide
SMILESCc1cc(N2CCOCC2)nc(CNS(=O)(=O)CCN2C(=O)CCCC2=O)n1
InChIInChI=1S/C17H25N5O5S/c1-13-11-15(21-5-8-27-9-6-21)20-14(19-13)12-18-28(25,26)10-7-22-16(23)3-2-4-17(22)24/h11,18H,2-10,12H2,1H3
InChIKeyOYPZOJZRNWWGSC-UHFFFAOYSA-N
MW411.48 g/mol
LogP-0.42
Rot. Bonds7

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

2-(2,6-dioxopiperidin-1-yl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide (PubChem CID 122319174) has the molecular formula C17H25N5O5S and a molecular weight of 411.48 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-1-yl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-1-yl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide
PubChem CID122319174
Molecular FormulaC17H25N5O5S
Molecular Weight411.48 g/mol
Exact Mass411.16
IUPAC Name2-(2,6-dioxopiperidin-1-yl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide
SMILESCc1cc(N2CCOCC2)nc(CNS(=O)(=O)CCN2C(=O)CCCC2=O)n1
InChIInChI=1S/C17H25N5O5S/c1-13-11-15(21-5-8-27-9-6-21)20-14(19-13)12-18-28(25,26)10-7-22-16(23)3-2-4-17(22)24/h11,18H,2-10,12H2,1H3
InChIKeyOYPZOJZRNWWGSC-UHFFFAOYSA-N
XLogP-0.42
TPSA121.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxopiperidin-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide
CID 122318899
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 122319188
1-methyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 122319238
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide
CID 91966940
4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122319182
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]cyclopropanecarboxamide
CID 71807461
2,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122319263
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide
CID 91966875
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]butane-1-sulfonamide
CID 121075534
2-cyclopentyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide
CID 122319033
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]ethanesulfonamide
CID 121075524
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966835

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-1-yl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide?
The IUPAC name of 2-(2,6-dioxopiperidin-1-yl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide (CID 122319174) is 2-(2,6-dioxopiperidin-1-yl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-(2,6-dioxopiperidin-1-yl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2-(2,6-dioxopiperidin-1-yl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide is Cc1cc(N2CCOCC2)nc(CNS(=O)(=O)CCN2C(=O)CCCC2=O)n1.
What is the InChIKey of 2-(2,6-dioxopiperidin-1-yl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide?
The InChIKey is OYPZOJZRNWWGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O5S/c1-13-11-15(21-5-8-27-9-6-21)20-14(19-13)12-18-28(25,26)10-7-22-16(23)3-2-4-17(22)24/h11,18H,2-10,12H2,1H3.
What are the key properties of 2-(2,6-dioxopiperidin-1-yl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide?
2-(2,6-dioxopiperidin-1-yl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide has a molecular weight of 411.48 g/mol, XLogP of -0.42, 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-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 122319174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).