N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide

C11H16N4O5S — CID 121022632

IUPACN-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCN2C(=O)COC2=O)nc1C
InChIInChI=1S/C11H16N4O5S/c1-3-14-6-9(13-8(14)2)21(18,19)12-4-5-15-10(16)7-20-11(15)17/h6,12H,3-5,7H2,1-2H3
InChIKeyFAXPSEPYQNGKKH-UHFFFAOYSA-N
MW316.34 g/mol
LogP-0.53
Rot. Bonds6

About N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide

N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide (PubChem CID 121022632) has the molecular formula C11H16N4O5S and a molecular weight of 316.34 g/mol. Its IUPAC name is N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide
PubChem CID121022632
Molecular FormulaC11H16N4O5S
Molecular Weight316.34 g/mol
Exact Mass316.08
IUPAC NameN-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCN2C(=O)COC2=O)nc1C
InChIInChI=1S/C11H16N4O5S/c1-3-14-6-9(13-8(14)2)21(18,19)12-4-5-15-10(16)7-20-11(15)17/h6,12H,3-5,7H2,1-2H3
InChIKeyFAXPSEPYQNGKKH-UHFFFAOYSA-N
XLogP-0.53
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide
CID 62657789
3-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]propanethioamide
CID 62666905
1-ethyl-2-methyl-N-[(E)-pent-3-enyl]imidazole-4-sulfonamide
CID 115875712
N-(2-bromoethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62064291
1-ethyl-N-(3-hydroxypentyl)-2-methylimidazole-4-sulfonamide
CID 115875750
N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62065157
1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide
CID 83030926
1-ethyl-N-(2-ethyl-2-hydroxybutyl)-2-methylimidazole-4-sulfonamide
CID 65112739
1-ethyl-2-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide
CID 122294298
1-ethyl-2-methyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide
CID 122294040
N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]thiophene-2-sulfonamide
CID 121022629
1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-2-methylimidazole-4-sulfonamide
CID 65113290

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide?
The IUPAC name of N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide (CID 121022632) is N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCCN2C(=O)COC2=O)nc1C.
What is the InChIKey of N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide?
The InChIKey is FAXPSEPYQNGKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5S/c1-3-14-6-9(13-8(14)2)21(18,19)12-4-5-15-10(16)7-20-11(15)17/h6,12H,3-5,7H2,1-2H3.
What are the key properties of N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide?
N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide has a molecular weight of 316.34 g/mol, XLogP of -0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-1-ethyl-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 121022632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).