N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide

C12H21N3O3S — CID 112551405

IUPACN-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC2(CO)CCCCC2)[nH]1
InChIInChI=1S/C12H21N3O3S/c1-10-13-7-11(15-10)19(17,18)14-8-12(9-16)5-3-2-4-6-12/h7,14,16H,2-6,8-9H2,1H3,(H,13,15)
InChIKeyMAPUNYGSOHLZGF-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.94
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide

N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 112551405) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID112551405
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC2(CO)CCCCC2)[nH]1
InChIInChI=1S/C12H21N3O3S/c1-10-13-7-11(15-10)19(17,18)14-8-12(9-16)5-3-2-4-6-12/h7,14,16H,2-6,8-9H2,1H3,(H,13,15)
InChIKeyMAPUNYGSOHLZGF-UHFFFAOYSA-N
XLogP0.94
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-ethylcyclopentyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 103908553
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-imidazole-5-sulfonamide
CID 115361933
2-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-imidazole-5-sulfonamide
CID 113349686
2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-imidazole-5-sulfonamide
CID 80742802
[1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexyl]methanol
CID 112697644
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 65121361
5-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide
CID 103965259
1-ethyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylimidazole-4-sulfonamide
CID 115875744
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide
CID 110642394
N'-hydroxy-1-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]cyclohexane-1-carboximidamide
CID 77021110
N-(4-hydroxy-2,2-dimethylbutyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 113349674
2-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methylbenzenesulfonamide
CID 115755603

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide (CID 112551405) is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCC2(CO)CCCCC2)[nH]1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is MAPUNYGSOHLZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-10-13-7-11(15-10)19(17,18)14-8-12(9-16)5-3-2-4-6-12/h7,14,16H,2-6,8-9H2,1H3,(H,13,15).
What are the key properties of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide?
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 112551405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).