N-(2-aminoethyl)-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

C10H18N4O4S — CID 61349508

IUPACN-(2-aminoethyl)-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCCN(CCN)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H18N4O4S/c1-4-14(6-5-11)19(17,18)8-7-12(2)10(16)13(3)9(8)15/h7H,4-6,11H2,1-3H3
InChIKeyXWPSYXCCQAOVPU-UHFFFAOYSA-N
MW290.35 g/mol
LogP-1.95
Rot. Bonds5

About N-(2-aminoethyl)-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-(2-aminoethyl)-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 61349508) has the molecular formula C10H18N4O4S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID61349508
Molecular FormulaC10H18N4O4S
Molecular Weight290.35 g/mol
Exact Mass290.10
IUPAC NameN-(2-aminoethyl)-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCCN(CCN)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H18N4O4S/c1-4-14(6-5-11)19(17,18)8-7-12(2)10(16)13(3)9(8)15/h7H,4-6,11H2,1-3H3
InChIKeyXWPSYXCCQAOVPU-UHFFFAOYSA-N
XLogP-1.95
TPSA107.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 5-1.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 107493871
N-(2-aminoethyl)-N-ethyl-1,2-dimethylimidazole-4-sulfonamide
CID 62061368
N-(2-aminoethyl)-N-ethyl-2-fluorobenzenesulfonamide;ethane
CID 91216358
N-(2-aminoethyl)-N-ethyl-2,4-dimethylbenzenesulfonamide
CID 28707755
N-(1-ethylpiperidin-4-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 36649212
N-[2-(dimethylamino)ethyl]-1,3-dimethyl-2,4-dioxo-N-phenylpyrimidine-5-sulfonamide
CID 60604234
1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonyl fluoride
CID 122236176
N-(2,5-dichlorophenyl)-2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propylamino]acetamide
CID 24510909
N-(4-aminobutan-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 62094209
N-(4-amino-2,2-dimethylbutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 106141539
N-(azetidin-3-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 66187107
2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-methylamino]propanoic acid
CID 62627859

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 61349508) is N-(2-aminoethyl)-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is CCN(CCN)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of N-(2-aminoethyl)-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is XWPSYXCCQAOVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4S/c1-4-14(6-5-11)19(17,18)8-7-12(2)10(16)13(3)9(8)15/h7H,4-6,11H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-(2-aminoethyl)-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 290.35 g/mol, XLogP of -1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 61349508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).