2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-sulfonyl chloride

C11H16ClN3O4S — CID 82914823

IUPAC2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-sulfonyl chloride
SMILESO=c1[nH]c(=O)n(CCN2CCCCC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H16ClN3O4S/c12-20(18,19)9-8-15(11(17)13-10(9)16)7-6-14-4-2-1-3-5-14/h8H,1-7H2,(H,13,16,17)
InChIKeyCEJMIRFVBAUMTE-UHFFFAOYSA-N
MW321.79 g/mol
LogP-0.05
Rot. Bonds4

About 2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-sulfonyl chloride

2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-sulfonyl chloride (PubChem CID 82914823) has the molecular formula C11H16ClN3O4S and a molecular weight of 321.79 g/mol. Its IUPAC name is 2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-sulfonyl chloride.

Molecular Properties

Compound Name2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-sulfonyl chloride
PubChem CID82914823
Molecular FormulaC11H16ClN3O4S
Molecular Weight321.79 g/mol
Exact Mass321.06
IUPAC Name2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-sulfonyl chloride
SMILESO=c1[nH]c(=O)n(CCN2CCCCC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H16ClN3O4S/c12-20(18,19)9-8-15(11(17)13-10(9)16)7-6-14-4-2-1-3-5-14/h8H,1-7H2,(H,13,16,17)
InChIKeyCEJMIRFVBAUMTE-UHFFFAOYSA-N
XLogP-0.05
TPSA92.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-sulfonyl chloride?
The IUPAC name of 2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-sulfonyl chloride (CID 82914823) is 2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-sulfonyl chloride.
What is the SMILES notation for 2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-sulfonyl chloride?
The canonical SMILES for 2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-sulfonyl chloride is O=c1[nH]c(=O)n(CCN2CCCCC2)cc1S(=O)(=O)Cl.
What is the InChIKey of 2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-sulfonyl chloride?
The InChIKey is CEJMIRFVBAUMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O4S/c12-20(18,19)9-8-15(11(17)13-10(9)16)7-6-14-4-2-1-3-5-14/h8H,1-7H2,(H,13,16,17).
What are the key properties of 2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-sulfonyl chloride?
2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-sulfonyl chloride has a molecular weight of 321.79 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-sulfonyl chloride is sourced from PubChem (CID 82914823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).