N-(3,3-dimethylcyclopentyl)-5-iodothiophene-3-carboxamide

C12H16INOS — CID 115880826

IUPACN-(3,3-dimethylcyclopentyl)-5-iodothiophene-3-carboxamide
SMILESCC1(C)CCC(NC(=O)c2csc(I)c2)C1
InChIInChI=1S/C12H16INOS/c1-12(2)4-3-9(6-12)14-11(15)8-5-10(13)16-7-8/h5,7,9H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyLFMKYEIPMJPHDB-UHFFFAOYSA-N
MW349.24 g/mol
LogP3.66
Rot. Bonds2

About N-(3,3-dimethylcyclopentyl)-5-iodothiophene-3-carboxamide

N-(3,3-dimethylcyclopentyl)-5-iodothiophene-3-carboxamide (PubChem CID 115880826) has the molecular formula C12H16INOS and a molecular weight of 349.24 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-5-iodothiophene-3-carboxamide
PubChem CID115880826
Molecular FormulaC12H16INOS
Molecular Weight349.24 g/mol
Exact Mass349.00
IUPAC NameN-(3,3-dimethylcyclopentyl)-5-iodothiophene-3-carboxamide
SMILESCC1(C)CCC(NC(=O)c2csc(I)c2)C1
InChIInChI=1S/C12H16INOS/c1-12(2)4-3-9(6-12)14-11(15)8-5-10(13)16-7-8/h5,7,9H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyLFMKYEIPMJPHDB-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,3-dimethylcyclopentyl)-5-iodothiophene-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-5-iodothiophene-3-carboxamide (CID 115880826) is N-(3,3-dimethylcyclopentyl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-5-iodothiophene-3-carboxamide is CC1(C)CCC(NC(=O)c2csc(I)c2)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-5-iodothiophene-3-carboxamide?
The InChIKey is LFMKYEIPMJPHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INOS/c1-12(2)4-3-9(6-12)14-11(15)8-5-10(13)16-7-8/h5,7,9H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of N-(3,3-dimethylcyclopentyl)-5-iodothiophene-3-carboxamide?
N-(3,3-dimethylcyclopentyl)-5-iodothiophene-3-carboxamide has a molecular weight of 349.24 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 115880826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).