5-amino-N-(1-hydroxypropan-2-yl)-N,3-dimethylimidazole-4-sulfonamide

C8H16N4O3S — CID 104551001

IUPAC5-amino-N-(1-hydroxypropan-2-yl)-N,3-dimethylimidazole-4-sulfonamide
SMILESCC(CO)N(C)S(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C8H16N4O3S/c1-6(4-13)12(3)16(14,15)8-7(9)10-5-11(8)2/h5-6,13H,4,9H2,1-3H3
InChIKeyYZDKCECFUSSTRP-UHFFFAOYSA-N
MW248.31 g/mol
LogP-1.00
Rot. Bonds4

About 5-amino-N-(1-hydroxypropan-2-yl)-N,3-dimethylimidazole-4-sulfonamide

5-amino-N-(1-hydroxypropan-2-yl)-N,3-dimethylimidazole-4-sulfonamide (PubChem CID 104551001) has the molecular formula C8H16N4O3S and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-amino-N-(1-hydroxypropan-2-yl)-N,3-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(1-hydroxypropan-2-yl)-N,3-dimethylimidazole-4-sulfonamide
PubChem CID104551001
Molecular FormulaC8H16N4O3S
Molecular Weight248.31 g/mol
Exact Mass248.09
IUPAC Name5-amino-N-(1-hydroxypropan-2-yl)-N,3-dimethylimidazole-4-sulfonamide
SMILESCC(CO)N(C)S(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C8H16N4O3S/c1-6(4-13)12(3)16(14,15)8-7(9)10-5-11(8)2/h5-6,13H,4,9H2,1-3H3
InChIKeyYZDKCECFUSSTRP-UHFFFAOYSA-N
XLogP-1.00
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-[(2S)-1-hydroxypropan-2-yl]-3-methylimidazole-4-sulfonamide
CID 107212641
2-[(5-amino-3-methylimidazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 63978893
5-amino-N-(2-methoxyethyl)-N,3-dimethylimidazole-4-sulfonamide
CID 63978509
5-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63980416
5-amino-N-cyclopentyl-N,3-dimethylimidazole-4-sulfonamide
CID 63978307
5-amino-N,3-dimethyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide
CID 114236541
5-amino-N-cyclobutyl-N-(3-hydroxypropyl)-3-methylimidazole-4-sulfonamide
CID 102859015
5-amino-3-methyl-N-pentan-3-ylimidazole-4-sulfonamide
CID 63977514
5-amino-N,3-dimethyl-N-(2-phenylethyl)imidazole-4-sulfonamide
CID 63980403
5-amino-N-(3-hydroxybutyl)-3-methylimidazole-4-sulfonamide
CID 64929209
5-amino-N,3-dimethyl-N-(pyridin-2-ylmethyl)imidazole-4-sulfonamide
CID 63979640
N-(1-hydroxypropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide
CID 104710142

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-hydroxypropan-2-yl)-N,3-dimethylimidazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(1-hydroxypropan-2-yl)-N,3-dimethylimidazole-4-sulfonamide (CID 104551001) is 5-amino-N-(1-hydroxypropan-2-yl)-N,3-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(1-hydroxypropan-2-yl)-N,3-dimethylimidazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(1-hydroxypropan-2-yl)-N,3-dimethylimidazole-4-sulfonamide is CC(CO)N(C)S(=O)(=O)c1c(N)ncn1C.
What is the InChIKey of 5-amino-N-(1-hydroxypropan-2-yl)-N,3-dimethylimidazole-4-sulfonamide?
The InChIKey is YZDKCECFUSSTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O3S/c1-6(4-13)12(3)16(14,15)8-7(9)10-5-11(8)2/h5-6,13H,4,9H2,1-3H3.
What are the key properties of 5-amino-N-(1-hydroxypropan-2-yl)-N,3-dimethylimidazole-4-sulfonamide?
5-amino-N-(1-hydroxypropan-2-yl)-N,3-dimethylimidazole-4-sulfonamide has a molecular weight of 248.31 g/mol, XLogP of -1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-hydroxypropan-2-yl)-N,3-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 104551001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).