1-cyclohexyl-6-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-olate

C17H24N3O3S- — CID 1225060

IUPAC1-cyclohexyl-6-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-olate
SMILESO=C(CSc1nc([O-])cc(=O)n1C1CCCCC1)N1CCCCC1
InChIInChI=1S/C17H25N3O3S/c21-14-11-15(22)20(13-7-3-1-4-8-13)17(18-14)24-12-16(23)19-9-5-2-6-10-19/h11,13,21H,1-10,12H2/p-1
InChIKeyXCLCXWJHSKKCSO-UHFFFAOYSA-M
MW350.46 g/mol
LogP1.93
Rot. Bonds4

About 1-cyclohexyl-6-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-olate

1-cyclohexyl-6-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-olate (PubChem CID 1225060) has the molecular formula C17H24N3O3S- and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-cyclohexyl-6-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-olate.

Molecular Properties

Compound Name1-cyclohexyl-6-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-olate
PubChem CID1225060
Molecular FormulaC17H24N3O3S-
Molecular Weight350.46 g/mol
Exact Mass350.15
IUPAC Name1-cyclohexyl-6-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-olate
SMILESO=C(CSc1nc([O-])cc(=O)n1C1CCCCC1)N1CCCCC1
InChIInChI=1S/C17H25N3O3S/c21-14-11-15(22)20(13-7-3-1-4-8-13)17(18-14)24-12-16(23)19-9-5-2-6-10-19/h11,13,21H,1-10,12H2/p-1
InChIKeyXCLCXWJHSKKCSO-UHFFFAOYSA-M
XLogP1.93
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-olate?
The IUPAC name of 1-cyclohexyl-6-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-olate (CID 1225060) is 1-cyclohexyl-6-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-olate.
What is the SMILES notation for 1-cyclohexyl-6-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-olate?
The canonical SMILES for 1-cyclohexyl-6-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-olate is O=C(CSc1nc([O-])cc(=O)n1C1CCCCC1)N1CCCCC1.
What is the InChIKey of 1-cyclohexyl-6-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-olate?
The InChIKey is XCLCXWJHSKKCSO-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H25N3O3S/c21-14-11-15(22)20(13-7-3-1-4-8-13)17(18-14)24-12-16(23)19-9-5-2-6-10-19/h11,13,21H,1-10,12H2/p-1.
What are the key properties of 1-cyclohexyl-6-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-olate?
1-cyclohexyl-6-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-olate has a molecular weight of 350.46 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-olate is sourced from PubChem (CID 1225060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).