N-[(3-bromocyclopentyl)methyl]-1,2-dimethylimidazole-4-sulfonamide

C11H18BrN3O2S — CID 114148149

IUPACN-[(3-bromocyclopentyl)methyl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NCC2CCC(Br)C2)cn1C
InChIInChI=1S/C11H18BrN3O2S/c1-8-14-11(7-15(8)2)18(16,17)13-6-9-3-4-10(12)5-9/h7,9-10,13H,3-6H2,1-2H3
InChIKeyTXLHUICYDAHFRG-UHFFFAOYSA-N
MW336.26 g/mol
LogP1.57
Rot. Bonds4

About N-[(3-bromocyclopentyl)methyl]-1,2-dimethylimidazole-4-sulfonamide

N-[(3-bromocyclopentyl)methyl]-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 114148149) has the molecular formula C11H18BrN3O2S and a molecular weight of 336.26 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-1,2-dimethylimidazole-4-sulfonamide
PubChem CID114148149
Molecular FormulaC11H18BrN3O2S
Molecular Weight336.26 g/mol
Exact Mass335.03
IUPAC NameN-[(3-bromocyclopentyl)methyl]-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NCC2CCC(Br)C2)cn1C
InChIInChI=1S/C11H18BrN3O2S/c1-8-14-11(7-15(8)2)18(16,17)13-6-9-3-4-10(12)5-9/h7,9-10,13H,3-6H2,1-2H3
InChIKeyTXLHUICYDAHFRG-UHFFFAOYSA-N
XLogP1.57
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-1-methylimidazole-4-sulfonamide
CID 62373927
3-ethyl-N-methyl-N-(1-methylcyclopentyl)imidazole-4-sulfonamide
CID 137955579
1-[(3,3-Difluorocyclopentyl)methyl]-2-propylimidazole-4-sulfonamide
CID 114225520
2,3-dimethyl-N-[1-(trifluoromethyl)cyclopentyl]imidazole-4-sulfonamide
CID 146143883
N-cyclopentyl-1,2-dimethylimidazole-4-sulfonamide
CID 53299115
1-ethyl-N-(3-methylbutyl)imidazole-4-sulfonamide
CID 72109775
N-(4,4-dimethylpentyl)-1-methylimidazole-4-sulfonamide
CID 21021033
1-methyl-N-(4-methylpentyl)imidazole-4-sulfonamide
CID 21021034
3-methyl-N-(3-methylbutyl)imidazole-4-sulfonamide
CID 170368754
1,2-dimethyl-N-(piperidin-4-ylmethyl)imidazole-4-sulfonamide
CID 55030432
N-[(1-aminocyclohexyl)methyl]-1,2-dimethylimidazole-4-sulfonamide
CID 55030434
N-[1-(aminomethyl)cyclopentyl]-N,1,2-trimethylimidazole-4-sulfonamide
CID 55030619

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-1,2-dimethylimidazole-4-sulfonamide (CID 114148149) is N-[(3-bromocyclopentyl)methyl]-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)NCC2CCC(Br)C2)cn1C.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is TXLHUICYDAHFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O2S/c1-8-14-11(7-15(8)2)18(16,17)13-6-9-3-4-10(12)5-9/h7,9-10,13H,3-6H2,1-2H3.
What are the key properties of N-[(3-bromocyclopentyl)methyl]-1,2-dimethylimidazole-4-sulfonamide?
N-[(3-bromocyclopentyl)methyl]-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 336.26 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 114148149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).