N-(4-amino-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide

C8H16N4O3S — CID 106153872

IUPACN-(4-amino-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide
SMILESCOCC(CCN)NS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C8H16N4O3S/c1-15-5-7(2-3-9)12-16(13,14)8-4-10-6-11-8/h4,6-7,12H,2-3,5,9H2,1H3,(H,10,11)
InChIKeyGIAVYGAMARHYLA-UHFFFAOYSA-N
MW248.31 g/mol
LogP-0.95
Rot. Bonds7

About N-(4-amino-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide

N-(4-amino-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide (PubChem CID 106153872) has the molecular formula C8H16N4O3S and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(4-amino-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide
PubChem CID106153872
Molecular FormulaC8H16N4O3S
Molecular Weight248.31 g/mol
Exact Mass248.09
IUPAC NameN-(4-amino-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide
SMILESCOCC(CCN)NS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C8H16N4O3S/c1-15-5-7(2-3-9)12-16(13,14)8-4-10-6-11-8/h4,6-7,12H,2-3,5,9H2,1H3,(H,10,11)
InChIKeyGIAVYGAMARHYLA-UHFFFAOYSA-N
XLogP-0.95
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-3-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide
CID 106181220
N-(4-bromo-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide
CID 106158527
N-(4-amino-1-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
CID 114150899
N-(4-amino-1-methoxybutan-2-yl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114150900
N-(3-chloro-4-methoxybutyl)-1H-imidazole-5-sulfonamide
CID 106245540
N-(4-amino-1-methoxybutan-2-yl)benzenesulfonamide
CID 114150891
N-pent-4-yn-2-yl-1H-imidazole-5-sulfonamide
CID 115662723
2-(1H-imidazol-5-ylsulfonylamino)-5-methoxy-5-oxopentanoic acid
CID 82786144
N-(4-amino-1-methoxybutan-2-yl)-1-ethylimidazole-4-sulfonamide
CID 106153983
N-(1-methoxy-2-methylpropan-2-yl)-1H-imidazole-5-sulfonamide
CID 115640418
N-(2-propan-2-yloxyethyl)-1H-imidazole-5-sulfonamide
CID 104600676
N-(1-amino-4-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
CID 114212253

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(4-amino-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide (CID 106153872) is N-(4-amino-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(4-amino-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(4-amino-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide is COCC(CCN)NS(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-(4-amino-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide?
The InChIKey is GIAVYGAMARHYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O3S/c1-15-5-7(2-3-9)12-16(13,14)8-4-10-6-11-8/h4,6-7,12H,2-3,5,9H2,1H3,(H,10,11).
What are the key properties of N-(4-amino-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide?
N-(4-amino-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide has a molecular weight of 248.31 g/mol, XLogP of -0.95, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 106153872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).