1-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide

C13H24N4O3S — CID 106610075

IUPAC1-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)N(CCOC)CC2CCCN2)c1
InChIInChI=1S/C13H24N4O3S/c1-3-16-10-13(15-11-16)21(18,19)17(7-8-20-2)9-12-5-4-6-14-12/h10-12,14H,3-9H2,1-2H3
InChIKeyYAEKDIICPXBLDB-UHFFFAOYSA-N
MW316.43 g/mol
LogP0.29
Rot. Bonds8

About 1-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide

1-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide (PubChem CID 106610075) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
PubChem CID106610075
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name1-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)N(CCOC)CC2CCCN2)c1
InChIInChI=1S/C13H24N4O3S/c1-3-16-10-13(15-11-16)21(18,19)17(7-8-20-2)9-12-5-4-6-14-12/h10-12,14H,3-9H2,1-2H3
InChIKeyYAEKDIICPXBLDB-UHFFFAOYSA-N
XLogP0.29
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
CID 106607858
4-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610003
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide
CID 106609971
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopentanesulfonamide
CID 106609985
1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]imidazole-4-sulfonamide;hydrochloride
CID 120723340
3-methoxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide
CID 106609930
1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
CID 106607634
1-ethyl-N-piperidin-3-yl-N-propylimidazole-4-sulfonamide
CID 79373627
methyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate
CID 106609757
2-ethyl-N-(2-methoxyethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide
CID 106611603
N-(2-chloroethyl)-1-ethyl-N-propylimidazole-4-sulfonamide
CID 79372708
ethyl N-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]carbamate
CID 106609811

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide (CID 106610075) is 1-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)N(CCOC)CC2CCCN2)c1.
What is the InChIKey of 1-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide?
The InChIKey is YAEKDIICPXBLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-3-16-10-13(15-11-16)21(18,19)17(7-8-20-2)9-12-5-4-6-14-12/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 1-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide?
1-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide has a molecular weight of 316.43 g/mol, XLogP of 0.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 106610075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).