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

C10H20N4O3S — CID 113430471

IUPAC2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NCCNCC(C)O)[nH]1
InChIInChI=1S/C10H20N4O3S/c1-3-9-12-7-10(14-9)18(16,17)13-5-4-11-6-8(2)15/h7-8,11,13,15H,3-6H2,1-2H3,(H,12,14)
InChIKeyKLDXDSAURMFBQT-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.78
Rot. Bonds8

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

2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide (PubChem CID 113430471) has the molecular formula C10H20N4O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide
PubChem CID113430471
Molecular FormulaC10H20N4O3S
Molecular Weight276.36 g/mol
Exact Mass276.13
IUPAC Name2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NCCNCC(C)O)[nH]1
InChIInChI=1S/C10H20N4O3S/c1-3-9-12-7-10(14-9)18(16,17)13-5-4-11-6-8(2)15/h7-8,11,13,15H,3-6H2,1-2H3,(H,12,14)
InChIKeyKLDXDSAURMFBQT-UHFFFAOYSA-N
XLogP-0.78
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide
CID 114111971
N-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114298250
N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide
CID 104594035
N-(3-chloro-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 65036950
2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]ethyl carbamate
CID 83204432
N-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 115303585
3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxypropanimidamide
CID 77021142
N-(2-cyclopropylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 113476004
2-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1H-imidazole-5-sulfonamide
CID 106306704
N-(2-bromo-3-ethylpentyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 106288635
2-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-imidazole-5-sulfonamide
CID 107232013
2-ethyl-N-(2-prop-2-enoxyethyl)-1H-imidazole-5-sulfonamide
CID 114265073

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide (CID 113430471) is 2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)NCCNCC(C)O)[nH]1.
What is the InChIKey of 2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide?
The InChIKey is KLDXDSAURMFBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3S/c1-3-9-12-7-10(14-9)18(16,17)13-5-4-11-6-8(2)15/h7-8,11,13,15H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide?
2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide has a molecular weight of 276.36 g/mol, XLogP of -0.78, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 113430471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).