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

C9H18N4O3S — CID 114212253

IUPACN-(1-amino-4-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCOCCC(CN)NS(=O)(=O)c1cnc(C)[nH]1
InChIInChI=1S/C9H18N4O3S/c1-7-11-6-9(12-7)17(14,15)13-8(5-10)3-4-16-2/h6,8,13H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyZLCHJMWVHGLHGQ-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.64
Rot. Bonds7

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

N-(1-amino-4-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 114212253) has the molecular formula C9H18N4O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(1-amino-4-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-4-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID114212253
Molecular FormulaC9H18N4O3S
Molecular Weight262.33 g/mol
Exact Mass262.11
IUPAC NameN-(1-amino-4-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCOCCC(CN)NS(=O)(=O)c1cnc(C)[nH]1
InChIInChI=1S/C9H18N4O3S/c1-7-11-6-9(12-7)17(14,15)13-8(5-10)3-4-16-2/h6,8,13H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyZLCHJMWVHGLHGQ-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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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(1-amino-4-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide (CID 114212253) is N-(1-amino-4-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(1-amino-4-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(1-amino-4-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide is COCCC(CN)NS(=O)(=O)c1cnc(C)[nH]1.
What is the InChIKey of N-(1-amino-4-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is ZLCHJMWVHGLHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3S/c1-7-11-6-9(12-7)17(14,15)13-8(5-10)3-4-16-2/h6,8,13H,3-5,10H2,1-2H3,(H,11,12).
What are the key properties of N-(1-amino-4-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide?
N-(1-amino-4-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-(1-amino-4-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 114212253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).