1,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-2,6-dioxopyrimidine-4-carboxamide

C13H20N4O5S — CID 74245039

IUPAC1,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-2,6-dioxopyrimidine-4-carboxamide
SMILESCn1c(C(=O)NC2CCN(S(C)(=O)=O)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H20N4O5S/c1-15-10(8-11(18)16(2)13(15)20)12(19)14-9-4-6-17(7-5-9)23(3,21)22/h8-9H,4-7H2,1-3H3,(H,14,19)
InChIKeyCRZNEHQJRAYJDU-UHFFFAOYSA-N
MW344.39 g/mol
LogP-1.76
Rot. Bonds3

About 1,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-2,6-dioxopyrimidine-4-carboxamide

1,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-2,6-dioxopyrimidine-4-carboxamide (PubChem CID 74245039) has the molecular formula C13H20N4O5S and a molecular weight of 344.39 g/mol. Its IUPAC name is 1,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-2,6-dioxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-2,6-dioxopyrimidine-4-carboxamide
PubChem CID74245039
Molecular FormulaC13H20N4O5S
Molecular Weight344.39 g/mol
Exact Mass344.12
IUPAC Name1,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-2,6-dioxopyrimidine-4-carboxamide
SMILESCn1c(C(=O)NC2CCN(S(C)(=O)=O)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H20N4O5S/c1-15-10(8-11(18)16(2)13(15)20)12(19)14-9-4-6-17(7-5-9)23(3,21)22/h8-9H,4-7H2,1-3H3,(H,14,19)
InChIKeyCRZNEHQJRAYJDU-UHFFFAOYSA-N
XLogP-1.76
TPSA110.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 5-1.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-2,6-dioxopyrimidine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-2,6-dioxopyrimidine-4-carboxamide (CID 74245039) is 1,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-2,6-dioxopyrimidine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-2,6-dioxopyrimidine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-2,6-dioxopyrimidine-4-carboxamide is Cn1c(C(=O)NC2CCN(S(C)(=O)=O)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-2,6-dioxopyrimidine-4-carboxamide?
The InChIKey is CRZNEHQJRAYJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O5S/c1-15-10(8-11(18)16(2)13(15)20)12(19)14-9-4-6-17(7-5-9)23(3,21)22/h8-9H,4-7H2,1-3H3,(H,14,19).
What are the key properties of 1,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-2,6-dioxopyrimidine-4-carboxamide?
1,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-2,6-dioxopyrimidine-4-carboxamide has a molecular weight of 344.39 g/mol, XLogP of -1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-2,6-dioxopyrimidine-4-carboxamide is sourced from PubChem (CID 74245039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).