N-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-4-yl]methanesulfonamide

C13H22N4O4S — CID 91832192

IUPACN-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-4-yl]methanesulfonamide
SMILESCc1cc(=O)n(CCN2CCC(NS(C)(=O)=O)CC2)c(=O)[nH]1
InChIInChI=1S/C13H22N4O4S/c1-10-9-12(18)17(13(19)14-10)8-7-16-5-3-11(4-6-16)15-22(2,20)21/h9,11,15H,3-8H2,1-2H3,(H,14,19)
InChIKeyDUUGGEQIRYHCSP-UHFFFAOYSA-N
MW330.41 g/mol
LogP-1.14
Rot. Bonds5

About N-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-4-yl]methanesulfonamide

N-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-4-yl]methanesulfonamide (PubChem CID 91832192) has the molecular formula C13H22N4O4S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-4-yl]methanesulfonamide
PubChem CID91832192
Molecular FormulaC13H22N4O4S
Molecular Weight330.41 g/mol
Exact Mass330.14
IUPAC NameN-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-4-yl]methanesulfonamide
SMILESCc1cc(=O)n(CCN2CCC(NS(C)(=O)=O)CC2)c(=O)[nH]1
InChIInChI=1S/C13H22N4O4S/c1-10-9-12(18)17(13(19)14-10)8-7-16-5-3-11(4-6-16)15-22(2,20)21/h9,11,15H,3-8H2,1-2H3,(H,14,19)
InChIKeyDUUGGEQIRYHCSP-UHFFFAOYSA-N
XLogP-1.14
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-4-yl]methanesulfonamide 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-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-4-yl]methanesulfonamide (CID 91832192) is N-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-4-yl]methanesulfonamide is Cc1cc(=O)n(CCN2CCC(NS(C)(=O)=O)CC2)c(=O)[nH]1.
What is the InChIKey of N-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is DUUGGEQIRYHCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4S/c1-10-9-12(18)17(13(19)14-10)8-7-16-5-3-11(4-6-16)15-22(2,20)21/h9,11,15H,3-8H2,1-2H3,(H,14,19).
What are the key properties of N-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-4-yl]methanesulfonamide?
N-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 330.41 g/mol, XLogP of -1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 91832192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).