N-(1-acetylpiperidin-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

C13H20N4O5S — CID 16604907

IUPACN-(1-acetylpiperidin-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCC(=O)N1CCC(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C13H20N4O5S/c1-9(18)17-6-4-10(5-7-17)14-23(21,22)11-8-15(2)13(20)16(3)12(11)19/h8,10,14H,4-7H2,1-3H3
InChIKeyZMICGEXMDQBDLH-UHFFFAOYSA-N
MW344.39 g/mol
LogP-1.63
Rot. Bonds3

About N-(1-acetylpiperidin-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-(1-acetylpiperidin-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 16604907) has the molecular formula C13H20N4O5S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID16604907
Molecular FormulaC13H20N4O5S
Molecular Weight344.39 g/mol
Exact Mass344.12
IUPAC NameN-(1-acetylpiperidin-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCC(=O)N1CCC(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C13H20N4O5S/c1-9(18)17-6-4-10(5-7-17)14-23(21,22)11-8-15(2)13(20)16(3)12(11)19/h8,10,14H,4-7H2,1-3H3
InChIKeyZMICGEXMDQBDLH-UHFFFAOYSA-N
XLogP-1.63
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 ≤ 5-1.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 16604907) is N-(1-acetylpiperidin-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is CC(=O)N1CCC(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is ZMICGEXMDQBDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O5S/c1-9(18)17-6-4-10(5-7-17)14-23(21,22)11-8-15(2)13(20)16(3)12(11)19/h8,10,14H,4-7H2,1-3H3.
What are the key properties of N-(1-acetylpiperidin-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-(1-acetylpiperidin-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 344.39 g/mol, XLogP of -1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 16604907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).