1-[2-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione

C17H24N4O5S — CID 119100362

IUPAC1-[2-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione
SMILESCc1cc(C)nc(OC2CCN(S(=O)(=O)CCN3C(=O)CCCC3=O)C2)n1
InChIInChI=1S/C17H24N4O5S/c1-12-10-13(2)19-17(18-12)26-14-6-7-20(11-14)27(24,25)9-8-21-15(22)4-3-5-16(21)23/h10,14H,3-9,11H2,1-2H3
InChIKeyRNVSSJZXPUKRSO-UHFFFAOYSA-N
MW396.47 g/mol
LogP0.42
Rot. Bonds6

About 1-[2-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione

1-[2-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione (PubChem CID 119100362) has the molecular formula C17H24N4O5S and a molecular weight of 396.47 g/mol. Its IUPAC name is 1-[2-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione
PubChem CID119100362
Molecular FormulaC17H24N4O5S
Molecular Weight396.47 g/mol
Exact Mass396.15
IUPAC Name1-[2-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione
SMILESCc1cc(C)nc(OC2CCN(S(=O)(=O)CCN3C(=O)CCCC3=O)C2)n1
InChIInChI=1S/C17H24N4O5S/c1-12-10-13(2)19-17(18-12)26-14-6-7-20(11-14)27(24,25)9-8-21-15(22)4-3-5-16(21)23/h10,14H,3-9,11H2,1-2H3
InChIKeyRNVSSJZXPUKRSO-UHFFFAOYSA-N
XLogP0.42
TPSA109.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 122260579
1-[2-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylethyl]piperidine-2,6-dione
CID 90638515
1-[2-[(3R)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 100739140
2-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 121017608
2-[(3S)-1-(2,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 129355041
2-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 122258223
1-[2-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 122250144
2-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 122258137
2-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 122258167
5-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonyl-2-fluorobenzoic acid
CID 129356264
4-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonylbenzonitrile
CID 122258202
1-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 90493899

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione?
The IUPAC name of 1-[2-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione (CID 119100362) is 1-[2-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[2-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione?
The canonical SMILES for 1-[2-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione is Cc1cc(C)nc(OC2CCN(S(=O)(=O)CCN3C(=O)CCCC3=O)C2)n1.
What is the InChIKey of 1-[2-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione?
The InChIKey is RNVSSJZXPUKRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5S/c1-12-10-13(2)19-17(18-12)26-14-6-7-20(11-14)27(24,25)9-8-21-15(22)4-3-5-16(21)23/h10,14H,3-9,11H2,1-2H3.
What are the key properties of 1-[2-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione?
1-[2-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione has a molecular weight of 396.47 g/mol, XLogP of 0.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione is sourced from PubChem (CID 119100362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).