N-(1-amino-3-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide

C7H14N4O3S — CID 106181220

IUPACN-(1-amino-3-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide
SMILESCOCC(CN)NS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C7H14N4O3S/c1-14-4-6(2-8)11-15(12,13)7-3-9-5-10-7/h3,5-6,11H,2,4,8H2,1H3,(H,9,10)
InChIKeyIHIWGUCPWXSPGA-UHFFFAOYSA-N
MW234.28 g/mol
LogP-1.34
Rot. Bonds6

About N-(1-amino-3-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide

N-(1-amino-3-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide (PubChem CID 106181220) has the molecular formula C7H14N4O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is N-(1-amino-3-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-3-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide
PubChem CID106181220
Molecular FormulaC7H14N4O3S
Molecular Weight234.28 g/mol
Exact Mass234.08
IUPAC NameN-(1-amino-3-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide
SMILESCOCC(CN)NS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C7H14N4O3S/c1-14-4-6(2-8)11-15(12,13)7-3-9-5-10-7/h3,5-6,11H,2,4,8H2,1H3,(H,9,10)
InChIKeyIHIWGUCPWXSPGA-UHFFFAOYSA-N
XLogP-1.34
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-amino-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide
CID 106153872
N-(4-bromo-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide
CID 106158527
N-(3-chloro-4-methoxybutyl)-1H-imidazole-5-sulfonamide
CID 106245540
N-(4-amino-1-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
CID 114150899
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
N-(4-amino-1-methoxybutan-2-yl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114150900
2-(1H-imidazol-5-ylsulfonylamino)-5-methoxy-5-oxopentanoic acid
CID 82786144
N-(3-oxopentan-2-yl)-1H-imidazole-5-sulfonamide
CID 64994110
N-pent-4-yn-2-yl-1H-imidazole-5-sulfonamide
CID 115662723
N-pent-1-yn-3-yl-1H-imidazole-5-sulfonamide
CID 106898626

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide (CID 106181220) is N-(1-amino-3-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(1-amino-3-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(1-amino-3-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide is COCC(CN)NS(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-(1-amino-3-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide?
The InChIKey is IHIWGUCPWXSPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O3S/c1-14-4-6(2-8)11-15(12,13)7-3-9-5-10-7/h3,5-6,11H,2,4,8H2,1H3,(H,9,10).
What are the key properties of N-(1-amino-3-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide?
N-(1-amino-3-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide has a molecular weight of 234.28 g/mol, XLogP of -1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 106181220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).