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

C14H25N3O4S — CID 51307194

IUPACN-(2-ethylhexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H25N3O4S/c1-5-7-8-11(6-2)9-15-22(20,21)12-10-16(3)14(19)17(4)13(12)18/h10-11,15H,5-9H2,1-4H3
InChIKeyGYKAJFBDQGGFLW-UHFFFAOYSA-N
MW331.44 g/mol
LogP0.58
Rot. Bonds8

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

N-(2-ethylhexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 51307194) has the molecular formula C14H25N3O4S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(2-ethylhexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID51307194
Molecular FormulaC14H25N3O4S
Molecular Weight331.44 g/mol
Exact Mass331.16
IUPAC NameN-(2-ethylhexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H25N3O4S/c1-5-7-8-11(6-2)9-15-22(20,21)12-10-16(3)14(19)17(4)13(12)18/h10-11,15H,5-9H2,1-4H3
InChIKeyGYKAJFBDQGGFLW-UHFFFAOYSA-N
XLogP0.58
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-2,4-dioxo-N-[(2R)-2-phenylbutyl]pyrimidine-5-sulfonamide
CID 26531792
N-(2-methoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 102697533
N-(2-ethylhexyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide
CID 20858663
N-(2-ethylhexyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 19681666
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 119976016
N-(4-hydroxybutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 106843925
N'-hexylsulfonyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonohydrazide
CID 167865426
N-(2-ethylhexyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 107818779
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethylhexyl)benzenesulfonamide
CID 133164771
N-(2-amino-2-methylpropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride
CID 119988336
N-[(2R)-1-hydroxybutan-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 93084014
N-(5-hydroxypentyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 107319460

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-(2-ethylhexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 51307194) is N-(2-ethylhexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2-ethylhexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-(2-ethylhexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is CCCCC(CC)CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of N-(2-ethylhexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is GYKAJFBDQGGFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4S/c1-5-7-8-11(6-2)9-15-22(20,21)12-10-16(3)14(19)17(4)13(12)18/h10-11,15H,5-9H2,1-4H3.
What are the key properties of N-(2-ethylhexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-(2-ethylhexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 331.44 g/mol, XLogP of 0.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 51307194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).