5-amino-N-(2-hydroxyethyl)-N,3-dimethylimidazole-4-sulfonamide

C7H14N4O3S — CID 63977553

IUPAC5-amino-N-(2-hydroxyethyl)-N,3-dimethylimidazole-4-sulfonamide
SMILESCN(CCO)S(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C7H14N4O3S/c1-10-5-9-6(8)7(10)15(13,14)11(2)3-4-12/h5,12H,3-4,8H2,1-2H3
InChIKeyDSWYDVVVHDEJAB-UHFFFAOYSA-N
MW234.28 g/mol
LogP-1.38
Rot. Bonds4

About 5-amino-N-(2-hydroxyethyl)-N,3-dimethylimidazole-4-sulfonamide

5-amino-N-(2-hydroxyethyl)-N,3-dimethylimidazole-4-sulfonamide (PubChem CID 63977553) has the molecular formula C7H14N4O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxyethyl)-N,3-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-hydroxyethyl)-N,3-dimethylimidazole-4-sulfonamide
PubChem CID63977553
Molecular FormulaC7H14N4O3S
Molecular Weight234.28 g/mol
Exact Mass234.08
IUPAC Name5-amino-N-(2-hydroxyethyl)-N,3-dimethylimidazole-4-sulfonamide
SMILESCN(CCO)S(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C7H14N4O3S/c1-10-5-9-6(8)7(10)15(13,14)11(2)3-4-12/h5,12H,3-4,8H2,1-2H3
InChIKeyDSWYDVVVHDEJAB-UHFFFAOYSA-N
XLogP-1.38
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-Amino-1-methyl-1H-imidazole-5-sulfonamide
CID 279492
5-Amino-3-methylimidazole-4-sulfonamide;hydrochloride
CID 54599459
5-amino-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63977922
5-amino-N,3-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63979466
5-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63980416
5-amino-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole-4-sulfonamide
CID 64007998
5-amino-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
CID 105641604
5-amino-N-[2-(2,2-difluoroethoxy)ethyl]-3-methylimidazole-4-sulfonamide
CID 105905394
5-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methylimidazole-4-sulfonamide
CID 106165569
5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide
CID 107478048
5-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-methylimidazole-4-sulfonamide
CID 114092899
5-amino-N-(2,2-difluoroethyl)-N,3-dimethylimidazole-4-sulfonamide
CID 116313866

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxyethyl)-N,3-dimethylimidazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(2-hydroxyethyl)-N,3-dimethylimidazole-4-sulfonamide (CID 63977553) is 5-amino-N-(2-hydroxyethyl)-N,3-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-hydroxyethyl)-N,3-dimethylimidazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(2-hydroxyethyl)-N,3-dimethylimidazole-4-sulfonamide is CN(CCO)S(=O)(=O)c1c(N)ncn1C.
What is the InChIKey of 5-amino-N-(2-hydroxyethyl)-N,3-dimethylimidazole-4-sulfonamide?
The InChIKey is DSWYDVVVHDEJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O3S/c1-10-5-9-6(8)7(10)15(13,14)11(2)3-4-12/h5,12H,3-4,8H2,1-2H3.
What are the key properties of 5-amino-N-(2-hydroxyethyl)-N,3-dimethylimidazole-4-sulfonamide?
5-amino-N-(2-hydroxyethyl)-N,3-dimethylimidazole-4-sulfonamide has a molecular weight of 234.28 g/mol, XLogP of -1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-hydroxyethyl)-N,3-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 63977553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).