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

C10H16F2N4O4S — CID 107493871

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)N(CCN)CC(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C10H16F2N4O4S/c1-14-5-7(9(17)15(2)10(14)18)21(19,20)16(4-3-13)6-8(11)12/h5,8H,3-4,6,13H2,1-2H3
InChIKeyIGMJUGYKKWFKSD-UHFFFAOYSA-N
MW326.33 g/mol
LogP-1.70
Rot. Bonds6

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

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 107493871) has the molecular formula C10H16F2N4O4S and a molecular weight of 326.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID107493871
Molecular FormulaC10H16F2N4O4S
Molecular Weight326.33 g/mol
Exact Mass326.09
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)N(CCN)CC(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C10H16F2N4O4S/c1-14-5-7(9(17)15(2)10(14)18)21(19,20)16(4-3-13)6-8(11)12/h5,8H,3-4,6,13H2,1-2H3
InChIKeyIGMJUGYKKWFKSD-UHFFFAOYSA-N
XLogP-1.70
TPSA107.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 5-1.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-aminoethyl)-N-ethyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 61349508
N-(2-aminoethyl)-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide
CID 107493804
1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonyl fluoride
CID 122236176
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107493796
N-(4-aminobutan-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 62094209
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,6-trifluorobenzenesulfonamide
CID 107493808
N-[(2,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 31818327
N-[2-(dimethylamino)ethyl]-1,3-dimethyl-2,4-dioxo-N-phenylpyrimidine-5-sulfonamide
CID 60604234
N-(4-amino-2,2-dimethylbutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 106141539
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 17414042
N-(2,2-difluoroethyl)-2,5-difluoro-N-propylbenzenesulfonamide
CID 60607549
N-[(4-ethylphenyl)methyl]-1,3-dimethyl-2,4-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide
CID 26531319

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 107493871) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is Cn1cc(S(=O)(=O)N(CCN)CC(F)F)c(=O)n(C)c1=O.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is IGMJUGYKKWFKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O4S/c1-14-5-7(9(17)15(2)10(14)18)21(19,20)16(4-3-13)6-8(11)12/h5,8H,3-4,6,13H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 326.33 g/mol, XLogP of -1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 107493871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).