2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide

C8H15N3O3S — CID 79589560

IUPAC2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide
SMILESCC(Cn1ccnc1)NS(=O)(=O)CCO
InChIInChI=1S/C8H15N3O3S/c1-8(6-11-3-2-9-7-11)10-15(13,14)5-4-12/h2-3,7-8,10,12H,4-6H2,1H3
InChIKeySRSBEZZKTHKABF-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.82
Rot. Bonds6

About 2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide

2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide (PubChem CID 79589560) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide
PubChem CID79589560
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide
SMILESCC(Cn1ccnc1)NS(=O)(=O)CCO
InChIInChI=1S/C8H15N3O3S/c1-8(6-11-3-2-9-7-11)10-15(13,14)5-4-12/h2-3,7-8,10,12H,4-6H2,1H3
InChIKeySRSBEZZKTHKABF-UHFFFAOYSA-N
XLogP-0.82
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide
CID 61482816
1-[2-(sulfamoylamino)propyl]imidazole
CID 112686375
N-(1-imidazol-1-ylpropan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106009921
2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 81242155
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457
1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]imidazole
CID 106010320
3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826
4-(1-aminoethyl)-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61480807
3-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylidenepropanamide
CID 61482794
N-[2-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162041
N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)benzenesulfonamide
CID 62152924

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide?
The IUPAC name of 2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide (CID 79589560) is 2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide.
What is the SMILES notation for 2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide?
The canonical SMILES for 2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide is CC(Cn1ccnc1)NS(=O)(=O)CCO.
What is the InChIKey of 2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide?
The InChIKey is SRSBEZZKTHKABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-8(6-11-3-2-9-7-11)10-15(13,14)5-4-12/h2-3,7-8,10,12H,4-6H2,1H3.
What are the key properties of 2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide?
2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide has a molecular weight of 233.29 g/mol, XLogP of -0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide is sourced from PubChem (CID 79589560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).