N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide

C8H16N4O3S — CID 104594035

IUPACN-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide
SMILESCC(O)CNCCNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C8H16N4O3S/c1-7(13)4-9-2-3-12-16(14,15)8-5-10-6-11-8/h5-7,9,12-13H,2-4H2,1H3,(H,10,11)
InChIKeyWJQPDXQUIHOWTD-UHFFFAOYSA-N
MW248.31 g/mol
LogP-1.34
Rot. Bonds7

About N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide

N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide (PubChem CID 104594035) has the molecular formula C8H16N4O3S and a molecular weight of 248.31 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide
PubChem CID104594035
Molecular FormulaC8H16N4O3S
Molecular Weight248.31 g/mol
Exact Mass248.09
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide
SMILESCC(O)CNCCNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C8H16N4O3S/c1-7(13)4-9-2-3-12-16(14,15)8-5-10-6-11-8/h5-7,9,12-13H,2-4H2,1H3,(H,10,11)
InChIKeyWJQPDXQUIHOWTD-UHFFFAOYSA-N
XLogP-1.34
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide
CID 113430471
N-(3-bromobutyl)-1H-imidazole-5-sulfonamide
CID 114297759
2-hydroxy-3-(1H-imidazol-5-ylsulfonylamino)propanoic acid
CID 66167517
N-(2-propan-2-yloxyethyl)-1H-imidazole-5-sulfonamide
CID 104600676
N-(5-methylhexyl)-1H-imidazole-5-sulfonamide
CID 79002686
N-(5-chloro-4-methylpentyl)-1H-imidazole-5-sulfonamide
CID 106158955
N-[3-(methanesulfonamido)propyl]-1H-imidazole-5-sulfonamide
CID 103680413
N-[2-(ethylsulfamoyl)ethyl]-1H-imidazole-5-sulfonamide
CID 103680432
N-(4-bromobutyl)-1H-imidazole-5-sulfonamide
CID 106846730
N-(6-methylsulfanylhexyl)-1H-imidazole-5-sulfonamide
CID 113414965
N-(2-amino-3-ethylpentyl)-1H-imidazole-5-sulfonamide
CID 114168541
N-(3-chloro-4-methoxybutyl)-1H-imidazole-5-sulfonamide
CID 106245540

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide (CID 104594035) is N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide is CC(O)CNCCNS(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide?
The InChIKey is WJQPDXQUIHOWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O3S/c1-7(13)4-9-2-3-12-16(14,15)8-5-10-6-11-8/h5-7,9,12-13H,2-4H2,1H3,(H,10,11).
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide?
N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide has a molecular weight of 248.31 g/mol, XLogP of -1.34, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 104594035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).