methyl 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxylate

C11H15N3O6S — CID 7253856

IUPACmethyl 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C11H15N3O6S/c1-20-10(16)7-2-4-14(5-3-7)21(18,19)8-6-12-11(17)13-9(8)15/h6-7H,2-5H2,1H3,(H2,12,13,15,17)
InChIKeyNUDODXOEVUIJDO-UHFFFAOYSA-N
MW317.32 g/mol
LogP-1.36
Rot. Bonds3

About methyl 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxylate

methyl 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxylate (PubChem CID 7253856) has the molecular formula C11H15N3O6S and a molecular weight of 317.32 g/mol. Its IUPAC name is methyl 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxylate
PubChem CID7253856
Molecular FormulaC11H15N3O6S
Molecular Weight317.32 g/mol
Exact Mass317.07
IUPAC Namemethyl 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C11H15N3O6S/c1-20-10(16)7-2-4-14(5-3-7)21(18,19)8-6-12-11(17)13-9(8)15/h6-7H,2-5H2,1H3,(H2,12,13,15,17)
InChIKeyNUDODXOEVUIJDO-UHFFFAOYSA-N
XLogP-1.36
TPSA129.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxylate (CID 7253856) is methyl 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxylate is COC(=O)C1CCN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of methyl 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxylate?
The InChIKey is NUDODXOEVUIJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O6S/c1-20-10(16)7-2-4-14(5-3-7)21(18,19)8-6-12-11(17)13-9(8)15/h6-7H,2-5H2,1H3,(H2,12,13,15,17).
What are the key properties of methyl 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxylate?
methyl 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxylate has a molecular weight of 317.32 g/mol, XLogP of -1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxylate is sourced from PubChem (CID 7253856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).