N-(1-cyanocyclopentyl)-5-iodothiophene-3-carboxamide

C11H11IN2OS — CID 78950202

IUPACN-(1-cyanocyclopentyl)-5-iodothiophene-3-carboxamide
SMILESN#CC1(NC(=O)c2csc(I)c2)CCCC1
InChIInChI=1S/C11H11IN2OS/c12-9-5-8(6-16-9)10(15)14-11(7-13)3-1-2-4-11/h5-6H,1-4H2,(H,14,15)
InChIKeyFEKVCZHWQKUVIX-UHFFFAOYSA-N
MW346.19 g/mol
LogP2.92
Rot. Bonds2

About N-(1-cyanocyclopentyl)-5-iodothiophene-3-carboxamide

N-(1-cyanocyclopentyl)-5-iodothiophene-3-carboxamide (PubChem CID 78950202) has the molecular formula C11H11IN2OS and a molecular weight of 346.19 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-5-iodothiophene-3-carboxamide
PubChem CID78950202
Molecular FormulaC11H11IN2OS
Molecular Weight346.19 g/mol
Exact Mass345.96
IUPAC NameN-(1-cyanocyclopentyl)-5-iodothiophene-3-carboxamide
SMILESN#CC1(NC(=O)c2csc(I)c2)CCCC1
InChIInChI=1S/C11H11IN2OS/c12-9-5-8(6-16-9)10(15)14-11(7-13)3-1-2-4-11/h5-6H,1-4H2,(H,14,15)
InChIKeyFEKVCZHWQKUVIX-UHFFFAOYSA-N
XLogP2.92
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyanocyclohexyl)-5-iodothiophene-3-carboxamide
CID 78949949
N-(1-cyanocyclopentyl)-3-iodobenzamide
CID 60659200
N-(1-cyanocycloheptyl)-3-iodobenzamide
CID 54904742
N-(1-cyanocyclobutyl)-4-iodobenzamide
CID 55137573
N-(1-cyanocyclobutyl)-3-iodobenzamide
CID 61400585
N-(1-carbamothioylcyclopentyl)-5-iodothiophene-3-carboxamide
CID 79693305
N-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide
CID 104938860
N-(1-cyanocycloheptyl)thiophene-3-carboxamide
CID 54904351
N-(1-cyanocyclooctyl)-3-fluorobenzamide
CID 60968532
N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]-5-iodothiophene-3-carboxamide
CID 79684643
N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 60660161
N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(1-cyanocyclopentyl)-5-iodothiophene-3-carboxamide (CID 78950202) is N-(1-cyanocyclopentyl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-5-iodothiophene-3-carboxamide is N#CC1(NC(=O)c2csc(I)c2)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-5-iodothiophene-3-carboxamide?
The InChIKey is FEKVCZHWQKUVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN2OS/c12-9-5-8(6-16-9)10(15)14-11(7-13)3-1-2-4-11/h5-6H,1-4H2,(H,14,15).
What are the key properties of N-(1-cyanocyclopentyl)-5-iodothiophene-3-carboxamide?
N-(1-cyanocyclopentyl)-5-iodothiophene-3-carboxamide has a molecular weight of 346.19 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 78950202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).