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

C9H18N4O3S — CID 114150899

IUPACN-(4-amino-1-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCOCC(CCN)NS(=O)(=O)c1cnc(C)[nH]1
InChIInChI=1S/C9H18N4O3S/c1-7-11-5-9(12-7)17(14,15)13-8(3-4-10)6-16-2/h5,8,13H,3-4,6,10H2,1-2H3,(H,11,12)
InChIKeyOQPFAKCEFUHPCQ-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.64
Rot. Bonds7

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

N-(4-amino-1-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 114150899) has the molecular formula C9H18N4O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(4-amino-1-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-1-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID114150899
Molecular FormulaC9H18N4O3S
Molecular Weight262.33 g/mol
Exact Mass262.11
IUPAC NameN-(4-amino-1-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCOCC(CCN)NS(=O)(=O)c1cnc(C)[nH]1
InChIInChI=1S/C9H18N4O3S/c1-7-11-5-9(12-7)17(14,15)13-8(3-4-10)6-16-2/h5,8,13H,3-4,6,10H2,1-2H3,(H,11,12)
InChIKeyOQPFAKCEFUHPCQ-UHFFFAOYSA-N
XLogP-0.64
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-4-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
CID 114212253
N-(4-amino-1-methoxybutan-2-yl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114150900
N-(4-amino-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide
CID 106153872
N-[(2R)-1-aminopropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide
CID 104873303
N-(4-amino-1-methoxybutan-2-yl)benzenesulfonamide
CID 114150891
N-[(2R)-1-hydroxypropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide
CID 79027971
N-(4-amino-1-methoxybutan-2-yl)-1-ethylimidazole-4-sulfonamide
CID 106153983
(2R)-5-methoxy-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]-5-oxopentanoic acid
CID 104936066
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-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 113346258
4-methoxy-3-N-(propan-2-ylsulfamoyl)butane-1,3-diamine
CID 106153951

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(4-amino-1-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide (CID 114150899) is N-(4-amino-1-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(4-amino-1-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(4-amino-1-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide is COCC(CCN)NS(=O)(=O)c1cnc(C)[nH]1.
What is the InChIKey of N-(4-amino-1-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is OQPFAKCEFUHPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3S/c1-7-11-5-9(12-7)17(14,15)13-8(3-4-10)6-16-2/h5,8,13H,3-4,6,10H2,1-2H3,(H,11,12).
What are the key properties of N-(4-amino-1-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide?
N-(4-amino-1-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 262.33 g/mol, XLogP of -0.64, 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)-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 114150899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).