1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-2-methylimidazole-4-sulfonamide

C12H21N3O3S — CID 65113290

IUPAC1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC2(O)CCCC2)nc1C
InChIInChI=1S/C12H21N3O3S/c1-3-15-8-11(14-10(15)2)19(17,18)13-9-12(16)6-4-5-7-12/h8,13,16H,3-7,9H2,1-2H3
InChIKeyTXIRFOBFIZESNX-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.79
Rot. Bonds5

About 1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-2-methylimidazole-4-sulfonamide

1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-2-methylimidazole-4-sulfonamide (PubChem CID 65113290) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-2-methylimidazole-4-sulfonamide
PubChem CID65113290
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC2(O)CCCC2)nc1C
InChIInChI=1S/C12H21N3O3S/c1-3-15-8-11(14-10(15)2)19(17,18)13-9-12(16)6-4-5-7-12/h8,13,16H,3-7,9H2,1-2H3
InChIKeyTXIRFOBFIZESNX-UHFFFAOYSA-N
XLogP0.79
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylimidazole-4-sulfonamide
CID 115875744
1-ethyl-2-methyl-N-[(2-methylpyrrolidin-2-yl)methyl]imidazole-4-sulfonamide
CID 114761673
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 106102932
1-ethyl-N-[1-(hydroxymethyl)cyclobutyl]-2-methylimidazole-4-sulfonamide
CID 104600270
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 107848291
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 115365860
1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide
CID 83030926
1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide
CID 62657789
3-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]propanethioamide
CID 62666905
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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-2-methylimidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-2-methylimidazole-4-sulfonamide (CID 65113290) is 1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-2-methylimidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCC2(O)CCCC2)nc1C.
What is the InChIKey of 1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-2-methylimidazole-4-sulfonamide?
The InChIKey is TXIRFOBFIZESNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-3-15-8-11(14-10(15)2)19(17,18)13-9-12(16)6-4-5-7-12/h8,13,16H,3-7,9H2,1-2H3.
What are the key properties of 1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-2-methylimidazole-4-sulfonamide?
1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-2-methylimidazole-4-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 65113290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).