N-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide

C11H19N3O2S — CID 115881173

IUPACN-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2CCC(C)(C)C2)c1
InChIInChI=1S/C11H19N3O2S/c1-11(2)5-4-9(6-11)13-17(15,16)10-7-14(3)8-12-10/h7-9,13H,4-6H2,1-3H3
InChIKeyTWWLARCQUWRMSS-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.28
Rot. Bonds3

About N-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide

N-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide (PubChem CID 115881173) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide
PubChem CID115881173
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2CCC(C)(C)C2)c1
InChIInChI=1S/C11H19N3O2S/c1-11(2)5-4-9(6-11)13-17(15,16)10-7-14(3)8-12-10/h7-9,13H,4-6H2,1-3H3
InChIKeyTWWLARCQUWRMSS-UHFFFAOYSA-N
XLogP1.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-1-methylimidazole-4-sulfonamide
CID 62373927
N-(2-amino-2-ethylbutyl)-1-methylimidazole-4-sulfonamide
CID 84591328
N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide
CID 86784600
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 86801792
3-ethyl-N-methyl-N-(1-methylcyclopentyl)imidazole-4-sulfonamide
CID 137955579
1,6-Bis(1-methyl-4-imidazolesulfonamido)hexane
CID 3028825
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-amine
CID 62373439
N,N-dimethyl-7-(1-methylimidazol-4-yl)sulfonyl-7-azaspiro[3.5]nonan-2-amine
CID 97451156
1-ethyl-N-[1-(fluoromethyl)cyclobutyl]imidazole-4-sulfonamide
CID 138001269
2,3-dimethyl-N-[1-(trifluoromethyl)cyclopentyl]imidazole-4-sulfonamide
CID 146143883
N-cyclooctyl-1-methyl-1H-imidazole-4-sulfonamide
CID 20958588
1-methyl-N-(2-methylbutan-2-yl)imidazole-4-sulfonamide
CID 46345219

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide (CID 115881173) is N-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NC2CCC(C)(C)C2)c1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is TWWLARCQUWRMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-11(2)5-4-9(6-11)13-17(15,16)10-7-14(3)8-12-10/h7-9,13H,4-6H2,1-3H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide?
N-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 115881173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).