1-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide

C11H19N5O3S — CID 81341052

IUPAC1-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(N)(=O)=O)cn1CCN1CCNC1=O
InChIInChI=1S/C11H19N5O3S/c1-8(2)10-14-9(20(12,18)19)7-16(10)6-5-15-4-3-13-11(15)17/h7-8H,3-6H2,1-2H3,(H,13,17)(H2,12,18,19)
InChIKeyGMRZJPJVOXSDSN-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.32
Rot. Bonds5

About 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide

1-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide (PubChem CID 81341052) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide
PubChem CID81341052
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC Name1-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(N)(=O)=O)cn1CCN1CCNC1=O
InChIInChI=1S/C11H19N5O3S/c1-8(2)10-14-9(20(12,18)19)7-16(10)6-5-15-4-3-13-11(15)17/h7-8H,3-6H2,1-2H3,(H,13,17)(H2,12,18,19)
InChIKeyGMRZJPJVOXSDSN-UHFFFAOYSA-N
XLogP-0.32
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazole-4-sulfonamide
CID 2810874
N-(tert-butyl)-4-((1-methyl-1H-imidazole-4-sulfonamido)methyl)piperidine-1-carboxamide
CID 71806277
N-(2-(2-cyclopropyl-1H-imidazol-1-yl)ethyl)-3-(methylsulfonyl)-2-oxoimidazolidine-1-carboxamide
CID 91629000
1-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-4-sulfonamide
CID 91907155
N-[3-(methylamino)propyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 84598067
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 86801792
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide
CID 71685744
1-(2-Fluoroethyl)-2-propan-2-ylimidazole-4-sulfonamide
CID 81340197
1-(3-Fluoropropyl)-2-propan-2-ylimidazole-4-sulfonamide
CID 81340771
1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propan-2-ylimidazole-4-sulfonyl chloride
CID 82912647
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 107493854
N-(2-aminoethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 107493939

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide (CID 81341052) is 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide is CC(C)c1nc(S(N)(=O)=O)cn1CCN1CCNC1=O.
What is the InChIKey of 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is GMRZJPJVOXSDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-8(2)10-14-9(20(12,18)19)7-16(10)6-5-15-4-3-13-11(15)17/h7-8H,3-6H2,1-2H3,(H,13,17)(H2,12,18,19).
What are the key properties of 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide?
1-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 301.37 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 81341052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).