N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide

C11H20N4O3S — CID 106609971

IUPACN-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide
SMILESCOCCN(CC1CCCN1)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C11H20N4O3S/c1-18-6-5-15(8-10-3-2-4-13-10)19(16,17)11-7-12-9-14-11/h7,9-10,13H,2-6,8H2,1H3,(H,12,14)
InChIKeyIWBAVFKKHGZFMH-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.20
Rot. Bonds7

About N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide

N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide (PubChem CID 106609971) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide
PubChem CID106609971
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC NameN-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide
SMILESCOCCN(CC1CCCN1)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C11H20N4O3S/c1-18-6-5-15(8-10-3-2-4-13-10)19(16,17)11-7-12-9-14-11/h7,9-10,13H,2-6,8H2,1H3,(H,12,14)
InChIKeyIWBAVFKKHGZFMH-UHFFFAOYSA-N
XLogP-0.20
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(piperidin-2-ylmethyl)-N-propyl-1H-imidazole-5-sulfonamide
CID 106630692
4-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610003
1-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
CID 106610075
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopentanesulfonamide
CID 106609985
3-methoxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide
CID 106609930
methyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate
CID 106609757
N-ethyl-N-(piperidin-4-ylmethyl)-1H-imidazole-5-sulfonamide
CID 79716580
N-ethyl-N-(piperidin-3-ylmethyl)-1H-imidazole-5-sulfonamide
CID 106631158
2-ethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide
CID 106608449
methyl 3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate
CID 106609888
N-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106609083
ethyl N-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]carbamate
CID 106609811

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide (CID 106609971) is N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide is COCCN(CC1CCCN1)S(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide?
The InChIKey is IWBAVFKKHGZFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-18-6-5-15(8-10-3-2-4-13-10)19(16,17)11-7-12-9-14-11/h7,9-10,13H,2-6,8H2,1H3,(H,12,14).
What are the key properties of N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide?
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of -0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 106609971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).