1-ethyl-2-methyl-N-[(2-methylpyrrolidin-2-yl)methyl]imidazole-4-sulfonamide

C12H22N4O2S — CID 114761673

IUPAC1-ethyl-2-methyl-N-[(2-methylpyrrolidin-2-yl)methyl]imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC2(C)CCCN2)nc1C
InChIInChI=1S/C12H22N4O2S/c1-4-16-8-11(15-10(16)2)19(17,18)14-9-12(3)6-5-7-13-12/h8,13-14H,4-7,9H2,1-3H3
InChIKeyZVYSJGKQXNXSPH-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.63
Rot. Bonds5

About 1-ethyl-2-methyl-N-[(2-methylpyrrolidin-2-yl)methyl]imidazole-4-sulfonamide

1-ethyl-2-methyl-N-[(2-methylpyrrolidin-2-yl)methyl]imidazole-4-sulfonamide (PubChem CID 114761673) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-ethyl-2-methyl-N-[(2-methylpyrrolidin-2-yl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-2-methyl-N-[(2-methylpyrrolidin-2-yl)methyl]imidazole-4-sulfonamide
PubChem CID114761673
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-ethyl-2-methyl-N-[(2-methylpyrrolidin-2-yl)methyl]imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC2(C)CCCN2)nc1C
InChIInChI=1S/C12H22N4O2S/c1-4-16-8-11(15-10(16)2)19(17,18)14-9-12(3)6-5-7-13-12/h8,13-14H,4-7,9H2,1-3H3
InChIKeyZVYSJGKQXNXSPH-UHFFFAOYSA-N
XLogP0.63
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-2-methylimidazole-4-sulfonamide
CID 65113290
1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylimidazole-4-sulfonamide
CID 115875744
1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide
CID 62657789
1-ethyl-N-[1-(hydroxymethyl)cyclobutyl]-2-methylimidazole-4-sulfonamide
CID 104600270
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 115365860
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 114758603
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 115456592
N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide
CID 64591191
1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide
CID 83030926
1-ethyl-N-(3-hydroxypentyl)-2-methylimidazole-4-sulfonamide
CID 115875750
1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylimidazole-4-sulfonamide
CID 107232092
1-ethyl-N-(2-ethyl-2-hydroxybutyl)-2-methylimidazole-4-sulfonamide
CID 65112739

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-N-[(2-methylpyrrolidin-2-yl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-2-methyl-N-[(2-methylpyrrolidin-2-yl)methyl]imidazole-4-sulfonamide (CID 114761673) is 1-ethyl-2-methyl-N-[(2-methylpyrrolidin-2-yl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-2-methyl-N-[(2-methylpyrrolidin-2-yl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-2-methyl-N-[(2-methylpyrrolidin-2-yl)methyl]imidazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCC2(C)CCCN2)nc1C.
What is the InChIKey of 1-ethyl-2-methyl-N-[(2-methylpyrrolidin-2-yl)methyl]imidazole-4-sulfonamide?
The InChIKey is ZVYSJGKQXNXSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-4-16-8-11(15-10(16)2)19(17,18)14-9-12(3)6-5-7-13-12/h8,13-14H,4-7,9H2,1-3H3.
What are the key properties of 1-ethyl-2-methyl-N-[(2-methylpyrrolidin-2-yl)methyl]imidazole-4-sulfonamide?
1-ethyl-2-methyl-N-[(2-methylpyrrolidin-2-yl)methyl]imidazole-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-N-[(2-methylpyrrolidin-2-yl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 114761673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).