N-(3-amino-4-methoxybutyl)-1,2-dimethylimidazole-4-sulfonamide

C10H20N4O3S — CID 114163160

IUPACN-(3-amino-4-methoxybutyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCOCC(N)CCNS(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C10H20N4O3S/c1-8-13-10(6-14(8)2)18(15,16)12-5-4-9(11)7-17-3/h6,9,12H,4-5,7,11H2,1-3H3
InChIKeyUWSBNXQUFOTZEZ-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.63
Rot. Bonds7

About N-(3-amino-4-methoxybutyl)-1,2-dimethylimidazole-4-sulfonamide

N-(3-amino-4-methoxybutyl)-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 114163160) has the molecular formula C10H20N4O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(3-amino-4-methoxybutyl)-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxybutyl)-1,2-dimethylimidazole-4-sulfonamide
PubChem CID114163160
Molecular FormulaC10H20N4O3S
Molecular Weight276.36 g/mol
Exact Mass276.13
IUPAC NameN-(3-amino-4-methoxybutyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCOCC(N)CCNS(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C10H20N4O3S/c1-8-13-10(6-14(8)2)18(15,16)12-5-4-9(11)7-17-3/h6,9,12H,4-5,7,11H2,1-3H3
InChIKeyUWSBNXQUFOTZEZ-UHFFFAOYSA-N
XLogP-0.63
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxybutyl)-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(3-amino-4-methoxybutyl)-1,2-dimethylimidazole-4-sulfonamide (CID 114163160) is N-(3-amino-4-methoxybutyl)-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3-amino-4-methoxybutyl)-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(3-amino-4-methoxybutyl)-1,2-dimethylimidazole-4-sulfonamide is COCC(N)CCNS(=O)(=O)c1cn(C)c(C)n1.
What is the InChIKey of N-(3-amino-4-methoxybutyl)-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is UWSBNXQUFOTZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3S/c1-8-13-10(6-14(8)2)18(15,16)12-5-4-9(11)7-17-3/h6,9,12H,4-5,7,11H2,1-3H3.
What are the key properties of N-(3-amino-4-methoxybutyl)-1,2-dimethylimidazole-4-sulfonamide?
N-(3-amino-4-methoxybutyl)-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 276.36 g/mol, XLogP of -0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxybutyl)-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 114163160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).