N-[2-(dimethylamino)ethyl]-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide

C11H20N4O4S — CID 43935847

IUPACN-[2-(dimethylamino)ethyl]-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide
SMILESCc1c(S(=O)(=O)NCCN(C)C)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C11H20N4O4S/c1-8-9(10(16)15(5)11(17)14(8)4)20(18,19)12-6-7-13(2)3/h12H,6-7H2,1-5H3
InChIKeyRPGZBFMDFLCMSK-UHFFFAOYSA-N
MW304.37 g/mol
LogP-1.77
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide

N-[2-(dimethylamino)ethyl]-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide (PubChem CID 43935847) has the molecular formula C11H20N4O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide
PubChem CID43935847
Molecular FormulaC11H20N4O4S
Molecular Weight304.37 g/mol
Exact Mass304.12
IUPAC NameN-[2-(dimethylamino)ethyl]-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide
SMILESCc1c(S(=O)(=O)NCCN(C)C)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C11H20N4O4S/c1-8-9(10(16)15(5)11(17)14(8)4)20(18,19)12-6-7-13(2)3/h12H,6-7H2,1-5H3
InChIKeyRPGZBFMDFLCMSK-UHFFFAOYSA-N
XLogP-1.77
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 5-1.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3,4-trimethyl-N-(3-morpholin-4-ylpropyl)-2,6-dioxopyrimidine-5-sulfonamide
CID 7475178
N-[2-(dimethylamino)ethyl]-2,3,4,5,6-pentafluorobenzenesulfonamide
CID 118636668
1,3,4-trimethyl-2,6-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide
CID 7475220
N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 2804483
N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane
CID 143460096
4-[2-(dimethylamino)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 43319876
4-amino-2,6-dichloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 43257027
3-[2-(dimethylamino)ethyl]-1,5,6-trimethylpyrimidine-2,4-dione
CID 21355386
N-[3-(dimethylamino)propyl]-4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonamide
CID 110171679
N-[2-(dimethylamino)ethyl]-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106032316
N-[3-[(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)sulfonylamino]phenyl]acetamide
CID 7161180
2-amino-N-[2-(dimethylamino)ethyl]pyrimidine-5-sulfonamide
CID 62149164

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide (CID 43935847) is N-[2-(dimethylamino)ethyl]-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide is Cc1c(S(=O)(=O)NCCN(C)C)c(=O)n(C)c(=O)n1C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide?
The InChIKey is RPGZBFMDFLCMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4S/c1-8-9(10(16)15(5)11(17)14(8)4)20(18,19)12-6-7-13(2)3/h12H,6-7H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide?
N-[2-(dimethylamino)ethyl]-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide has a molecular weight of 304.37 g/mol, XLogP of -1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 43935847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).