N-(2-amino-3-hydroxybutyl)-1-ethyl-2-methylimidazole-4-sulfonamide

C10H20N4O3S — CID 64539580

IUPACN-(2-amino-3-hydroxybutyl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC(N)C(C)O)nc1C
InChIInChI=1S/C10H20N4O3S/c1-4-14-6-10(13-8(14)3)18(16,17)12-5-9(11)7(2)15/h6-7,9,12,15H,4-5,11H2,1-3H3
InChIKeyOBAROJNNKVSOIF-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.80
Rot. Bonds6

About N-(2-amino-3-hydroxybutyl)-1-ethyl-2-methylimidazole-4-sulfonamide

N-(2-amino-3-hydroxybutyl)-1-ethyl-2-methylimidazole-4-sulfonamide (PubChem CID 64539580) has the molecular formula C10H20N4O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-1-ethyl-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-1-ethyl-2-methylimidazole-4-sulfonamide
PubChem CID64539580
Molecular FormulaC10H20N4O3S
Molecular Weight276.36 g/mol
Exact Mass276.13
IUPAC NameN-(2-amino-3-hydroxybutyl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC(N)C(C)O)nc1C
InChIInChI=1S/C10H20N4O3S/c1-4-14-6-10(13-8(14)3)18(16,17)12-5-9(11)7(2)15/h6-7,9,12,15H,4-5,11H2,1-3H3
InChIKeyOBAROJNNKVSOIF-UHFFFAOYSA-N
XLogP-0.80
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide
CID 83030926
1-ethyl-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]-2-methylimidazole-4-sulfonamide
CID 97252609
1-ethyl-N-(3-hydroxypentyl)-2-methylimidazole-4-sulfonamide
CID 115875750
N-[(2R)-1-aminopropan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 104873356
3-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]propanethioamide
CID 62666905
2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide
CID 64592125
1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide
CID 62657789
N-(2-bromo-2-phenylethyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 114295509
1-ethyl-N-(2-ethyl-2-hydroxybutyl)-2-methylimidazole-4-sulfonamide
CID 65112739
N-(1-chloropropan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 65030909
N-but-3-yn-2-yl-1-ethyl-2-methylimidazole-4-sulfonamide
CID 114419083
1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylimidazole-4-sulfonamide
CID 107232092

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-1-ethyl-2-methylimidazole-4-sulfonamide (CID 64539580) is N-(2-amino-3-hydroxybutyl)-1-ethyl-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-1-ethyl-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCC(N)C(C)O)nc1C.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The InChIKey is OBAROJNNKVSOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3S/c1-4-14-6-10(13-8(14)3)18(16,17)12-5-9(11)7(2)15/h6-7,9,12,15H,4-5,11H2,1-3H3.
What are the key properties of N-(2-amino-3-hydroxybutyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
N-(2-amino-3-hydroxybutyl)-1-ethyl-2-methylimidazole-4-sulfonamide has a molecular weight of 276.36 g/mol, XLogP of -0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)-1-ethyl-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 64539580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).