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

C12H21N3O2S — CID 103908553

IUPACN-[(1-ethylcyclopentyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCCC1(CNS(=O)(=O)c2cnc(C)[nH]2)CCCC1
InChIInChI=1S/C12H21N3O2S/c1-3-12(6-4-5-7-12)9-14-18(16,17)11-8-13-10(2)15-11/h8,14H,3-7,9H2,1-2H3,(H,13,15)
InChIKeyPLBVLXZTSWAFNB-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.97
Rot. Bonds5

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

N-[(1-ethylcyclopentyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 103908553) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-[(1-ethylcyclopentyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylcyclopentyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID103908553
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-[(1-ethylcyclopentyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCCC1(CNS(=O)(=O)c2cnc(C)[nH]2)CCCC1
InChIInChI=1S/C12H21N3O2S/c1-3-12(6-4-5-7-12)9-14-18(16,17)11-8-13-10(2)15-11/h8,14H,3-7,9H2,1-2H3,(H,13,15)
InChIKeyPLBVLXZTSWAFNB-UHFFFAOYSA-N
XLogP1.97
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 112551405
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
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 65121361
N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 113349618
N-(2-hydroxy-2-methylpropyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 65109036
2-methyl-N-(thian-2-ylmethyl)-1H-imidazole-5-sulfonamide
CID 80613171
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 113271323
N-[(3-chlorocyclobutyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 66004178
2-methyl-N-(3-methylpentan-3-yl)-1H-imidazole-5-sulfonamide
CID 103908379
N-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 103908329
N-[3-(chloromethyl)pentan-3-yl]-2-methyl-1H-imidazole-5-sulfonamide
CID 65032781

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopentyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[(1-ethylcyclopentyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide (CID 103908553) is N-[(1-ethylcyclopentyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[(1-ethylcyclopentyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[(1-ethylcyclopentyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide is CCC1(CNS(=O)(=O)c2cnc(C)[nH]2)CCCC1.
What is the InChIKey of N-[(1-ethylcyclopentyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is PLBVLXZTSWAFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-3-12(6-4-5-7-12)9-14-18(16,17)11-8-13-10(2)15-11/h8,14H,3-7,9H2,1-2H3,(H,13,15).
What are the key properties of N-[(1-ethylcyclopentyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide?
N-[(1-ethylcyclopentyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopentyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 103908553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).