N,N-dimethyl-4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazine-1-sulfonamide

C14H23N5O5S — CID 43060523

IUPACN,N-dimethyl-4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazine-1-sulfonamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C14H23N5O5S/c1-10-11(13(21)16-14(22)15-10)4-5-12(20)18-6-8-19(9-7-18)25(23,24)17(2)3/h4-9H2,1-3H3,(H2,15,16,21,22)
InChIKeyNOEVXVJUWPAWAZ-UHFFFAOYSA-N
MW373.44 g/mol
LogP-1.75
Rot. Bonds5

About N,N-dimethyl-4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazine-1-sulfonamide

N,N-dimethyl-4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazine-1-sulfonamide (PubChem CID 43060523) has the molecular formula C14H23N5O5S and a molecular weight of 373.44 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazine-1-sulfonamide
PubChem CID43060523
Molecular FormulaC14H23N5O5S
Molecular Weight373.44 g/mol
Exact Mass373.14
IUPAC NameN,N-dimethyl-4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazine-1-sulfonamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C14H23N5O5S/c1-10-11(13(21)16-14(22)15-10)4-5-12(20)18-6-8-19(9-7-18)25(23,24)17(2)3/h4-9H2,1-3H3,(H2,15,16,21,22)
InChIKeyNOEVXVJUWPAWAZ-UHFFFAOYSA-N
XLogP-1.75
TPSA126.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 5-1.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazine-1-sulfonamide (CID 43060523) is N,N-dimethyl-4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazine-1-sulfonamide is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazine-1-sulfonamide?
The InChIKey is NOEVXVJUWPAWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O5S/c1-10-11(13(21)16-14(22)15-10)4-5-12(20)18-6-8-19(9-7-18)25(23,24)17(2)3/h4-9H2,1-3H3,(H2,15,16,21,22).
What are the key properties of N,N-dimethyl-4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazine-1-sulfonamide?
N,N-dimethyl-4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazine-1-sulfonamide has a molecular weight of 373.44 g/mol, XLogP of -1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazine-1-sulfonamide is sourced from PubChem (CID 43060523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).