3,3-dimethyl-N-(1-methylimidazol-4-yl)sulfonylcyclopentane-1-carboxamide

C12H19N3O3S — CID 136547315

IUPAC3,3-dimethyl-N-(1-methylimidazol-4-yl)sulfonylcyclopentane-1-carboxamide
SMILESCn1cnc(S(=O)(=O)NC(=O)C2CCC(C)(C)C2)c1
InChIInChI=1S/C12H19N3O3S/c1-12(2)5-4-9(6-12)11(16)14-19(17,18)10-7-15(3)8-13-10/h7-9H,4-6H2,1-3H3,(H,14,16)
InChIKeyLVXLLHLPZOCCJS-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.05
Rot. Bonds3

About 3,3-dimethyl-N-(1-methylimidazol-4-yl)sulfonylcyclopentane-1-carboxamide

3,3-dimethyl-N-(1-methylimidazol-4-yl)sulfonylcyclopentane-1-carboxamide (PubChem CID 136547315) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3,3-dimethyl-N-(1-methylimidazol-4-yl)sulfonylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(1-methylimidazol-4-yl)sulfonylcyclopentane-1-carboxamide
PubChem CID136547315
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name3,3-dimethyl-N-(1-methylimidazol-4-yl)sulfonylcyclopentane-1-carboxamide
SMILESCn1cnc(S(=O)(=O)NC(=O)C2CCC(C)(C)C2)c1
InChIInChI=1S/C12H19N3O3S/c1-12(2)5-4-9(6-12)11(16)14-19(17,18)10-7-15(3)8-13-10/h7-9H,4-6H2,1-3H3,(H,14,16)
InChIKeyLVXLLHLPZOCCJS-UHFFFAOYSA-N
XLogP1.05
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(1-methylimidazol-4-yl)sulfonylcyclopentane-1-carboxamide?
The IUPAC name of 3,3-dimethyl-N-(1-methylimidazol-4-yl)sulfonylcyclopentane-1-carboxamide (CID 136547315) is 3,3-dimethyl-N-(1-methylimidazol-4-yl)sulfonylcyclopentane-1-carboxamide.
What is the SMILES notation for 3,3-dimethyl-N-(1-methylimidazol-4-yl)sulfonylcyclopentane-1-carboxamide?
The canonical SMILES for 3,3-dimethyl-N-(1-methylimidazol-4-yl)sulfonylcyclopentane-1-carboxamide is Cn1cnc(S(=O)(=O)NC(=O)C2CCC(C)(C)C2)c1.
What is the InChIKey of 3,3-dimethyl-N-(1-methylimidazol-4-yl)sulfonylcyclopentane-1-carboxamide?
The InChIKey is LVXLLHLPZOCCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-12(2)5-4-9(6-12)11(16)14-19(17,18)10-7-15(3)8-13-10/h7-9H,4-6H2,1-3H3,(H,14,16).
What are the key properties of 3,3-dimethyl-N-(1-methylimidazol-4-yl)sulfonylcyclopentane-1-carboxamide?
3,3-dimethyl-N-(1-methylimidazol-4-yl)sulfonylcyclopentane-1-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(1-methylimidazol-4-yl)sulfonylcyclopentane-1-carboxamide is sourced from PubChem (CID 136547315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).