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

C14H25N3O3S — CID 115875744

IUPAC1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC2(CO)CCCCC2)nc1C
InChIInChI=1S/C14H25N3O3S/c1-3-17-9-13(16-12(17)2)21(19,20)15-10-14(11-18)7-5-4-6-8-14/h9,15,18H,3-8,10-11H2,1-2H3
InChIKeyAELGMECBKGZKSO-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.43
Rot. Bonds6

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

1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylimidazole-4-sulfonamide (PubChem CID 115875744) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylimidazole-4-sulfonamide
PubChem CID115875744
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC2(CO)CCCCC2)nc1C
InChIInChI=1S/C14H25N3O3S/c1-3-17-9-13(16-12(17)2)21(19,20)15-10-14(11-18)7-5-4-6-8-14/h9,15,18H,3-8,10-11H2,1-2H3
InChIKeyAELGMECBKGZKSO-UHFFFAOYSA-N
XLogP1.43
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.43
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)cyclobutyl]-2-methylimidazole-4-sulfonamide
CID 104600270
1-ethyl-2-methyl-N-[(2-methylpyrrolidin-2-yl)methyl]imidazole-4-sulfonamide
CID 114761673
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 115365860
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 107848291
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 115456592
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 114758603
1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide
CID 83030926
1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylimidazole-4-sulfonamide
CID 107232092
1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide
CID 62657789
1-ethyl-N-(2-ethyl-2-hydroxybutyl)-2-methylimidazole-4-sulfonamide
CID 65112739
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 112551405

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylimidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylimidazole-4-sulfonamide (CID 115875744) is 1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylimidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCC2(CO)CCCCC2)nc1C.
What is the InChIKey of 1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylimidazole-4-sulfonamide?
The InChIKey is AELGMECBKGZKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-3-17-9-13(16-12(17)2)21(19,20)15-10-14(11-18)7-5-4-6-8-14/h9,15,18H,3-8,10-11H2,1-2H3.
What are the key properties of 1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylimidazole-4-sulfonamide?
1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylimidazole-4-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 115875744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).