N-(8-azabicyclo[3.2.1]octan-3-yl)-5-iodothiophene-3-carboxamide;hydrochloride

C12H16ClIN2OS — CID 119456063

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-5-iodothiophene-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)c1csc(I)c1
InChIInChI=1S/C12H15IN2OS.ClH/c13-11-3-7(6-17-11)12(16)15-10-4-8-1-2-9(5-10)14-8;/h3,6,8-10,14H,1-2,4-5H2,(H,15,16);1H
InChIKeyKFCVDDYKOBWWNG-UHFFFAOYSA-N
MW398.70 g/mol
LogP2.79
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-5-iodothiophene-3-carboxamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-iodothiophene-3-carboxamide;hydrochloride (PubChem CID 119456063) has the molecular formula C12H16ClIN2OS and a molecular weight of 398.70 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-iodothiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-iodothiophene-3-carboxamide;hydrochloride
PubChem CID119456063
Molecular FormulaC12H16ClIN2OS
Molecular Weight398.70 g/mol
Exact Mass397.97
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-iodothiophene-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)c1csc(I)c1
InChIInChI=1S/C12H15IN2OS.ClH/c13-11-3-7(6-17-11)12(16)15-10-4-8-1-2-9(5-10)14-8;/h3,6,8-10,14H,1-2,4-5H2,(H,15,16);1H
InChIKeyKFCVDDYKOBWWNG-UHFFFAOYSA-N
XLogP2.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.70
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-5-iodothiophene-3-carboxamide;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-aminocyclobutyl)-5-iodothiophene-3-carboxamide
CID 79693813
N-(3,3-dimethylcyclopentyl)-5-iodothiophene-3-carboxamide
CID 115880826
3-[(5-iodothiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 79685648
N-(2,3-dihydro-1H-inden-2-yl)-5-iodothiophene-3-carboxamide
CID 104693627
N-(1,2-dimethylpiperidin-4-yl)-5-iodothiophene-3-carboxamide
CID 79005771
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 61238981
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-iodo-1H-pyrrole-2-carboxamide;hydrochloride
CID 119457865
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethoxybenzamide;hydrochloride
CID 119455135
N-[(1S,2S)-2-hydroxycyclohexyl]-5-iodothiophene-3-carboxamide
CID 104956640
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119457637
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide
CID 61238974
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119458558

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-iodothiophene-3-carboxamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-iodothiophene-3-carboxamide;hydrochloride (CID 119456063) is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-iodothiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-iodothiophene-3-carboxamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-iodothiophene-3-carboxamide;hydrochloride is Cl.O=C(NC1CC2CCC(C1)N2)c1csc(I)c1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-iodothiophene-3-carboxamide;hydrochloride?
The InChIKey is KFCVDDYKOBWWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2OS.ClH/c13-11-3-7(6-17-11)12(16)15-10-4-8-1-2-9(5-10)14-8;/h3,6,8-10,14H,1-2,4-5H2,(H,15,16);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-iodothiophene-3-carboxamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-iodothiophene-3-carboxamide;hydrochloride has a molecular weight of 398.70 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-iodothiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119456063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).