N-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

C14H23N5O5S — CID 55698162

IUPACN-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCC(=O)N1CCN(CCNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C14H23N5O5S/c1-11(20)19-8-6-18(7-9-19)5-4-15-25(23,24)12-10-16(2)14(22)17(3)13(12)21/h10,15H,4-9H2,1-3H3
InChIKeyHZESKTKVOZRDJS-UHFFFAOYSA-N
MW373.44 g/mol
LogP-2.47
Rot. Bonds5

About N-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 55698162) has the molecular formula C14H23N5O5S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID55698162
Molecular FormulaC14H23N5O5S
Molecular Weight373.44 g/mol
Exact Mass373.14
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCC(=O)N1CCN(CCNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C14H23N5O5S/c1-11(20)19-8-6-18(7-9-19)5-4-15-25(23,24)12-10-16(2)14(22)17(3)13(12)21/h10,15H,4-9H2,1-3H3
InChIKeyHZESKTKVOZRDJS-UHFFFAOYSA-N
XLogP-2.47
TPSA113.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 5-2.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-hydroxybutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 106843925
N-(5-hydroxypentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 107319460
N-[2-(4-acetylpiperazin-1-yl)ethyl]-2,5-dimethylthiophene-3-sulfonamide
CID 78878041
1,3-dimethyl-2,4-dioxo-N-[(E)-pent-3-enyl]pyrimidine-5-sulfonamide
CID 113236593
N-[2-(2-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 26531239
N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 55697852
N-[2-(4-acetylpiperazin-1-yl)ethyl]-6-chloropyridine-3-sulfonamide
CID 55697943
N-(2-amino-2-methylpropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride
CID 119988336
N-[2-(2-methoxyethylamino)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride
CID 120717981
N-(3-azidopropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 61343812
N-[2-(3-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 26545349
N-[2-(3-chlorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 26529237

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 55698162) is N-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is CC(=O)N1CCN(CCNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is HZESKTKVOZRDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O5S/c1-11(20)19-8-6-18(7-9-19)5-4-15-25(23,24)12-10-16(2)14(22)17(3)13(12)21/h10,15H,4-9H2,1-3H3.
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 373.44 g/mol, XLogP of -2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 55698162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).