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

C12H13IN2OS — CID 78949949

IUPACN-(1-cyanocyclohexyl)-5-iodothiophene-3-carboxamide
SMILESN#CC1(NC(=O)c2csc(I)c2)CCCCC1
InChIInChI=1S/C12H13IN2OS/c13-10-6-9(7-17-10)11(16)15-12(8-14)4-2-1-3-5-12/h6-7H,1-5H2,(H,15,16)
InChIKeyCRRHRLRVRHMSPK-UHFFFAOYSA-N
MW360.22 g/mol
LogP3.31
Rot. Bonds2

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

N-(1-cyanocyclohexyl)-5-iodothiophene-3-carboxamide (PubChem CID 78949949) has the molecular formula C12H13IN2OS and a molecular weight of 360.22 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-5-iodothiophene-3-carboxamide
PubChem CID78949949
Molecular FormulaC12H13IN2OS
Molecular Weight360.22 g/mol
Exact Mass359.98
IUPAC NameN-(1-cyanocyclohexyl)-5-iodothiophene-3-carboxamide
SMILESN#CC1(NC(=O)c2csc(I)c2)CCCCC1
InChIInChI=1S/C12H13IN2OS/c13-10-6-9(7-17-10)11(16)15-12(8-14)4-2-1-3-5-12/h6-7H,1-5H2,(H,15,16)
InChIKeyCRRHRLRVRHMSPK-UHFFFAOYSA-N
XLogP3.31
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 53.31
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-cyanocyclopentyl)-5-iodothiophene-3-carboxamide
CID 78950202
N-(1-cyanocycloheptyl)-3-iodobenzamide
CID 54904742
N-(1-cyanocyclopentyl)-3-iodobenzamide
CID 60659200
N-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide
CID 104938860
N-(1-cyanocyclobutyl)-4-iodobenzamide
CID 55137573
N-(1-cyanocycloheptyl)thiophene-3-carboxamide
CID 54904351
N-(1-cyanocyclobutyl)-3-iodobenzamide
CID 61400585
N-(1-cyanocyclooctyl)-3-fluorobenzamide
CID 60968532
N-(1-carbamothioylcyclopentyl)-5-iodothiophene-3-carboxamide
CID 79693305
N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]-5-iodothiophene-3-carboxamide
CID 79684643
N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123
2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide
CID 60966983

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(1-cyanocyclohexyl)-5-iodothiophene-3-carboxamide (CID 78949949) is N-(1-cyanocyclohexyl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-5-iodothiophene-3-carboxamide is N#CC1(NC(=O)c2csc(I)c2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-5-iodothiophene-3-carboxamide?
The InChIKey is CRRHRLRVRHMSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN2OS/c13-10-6-9(7-17-10)11(16)15-12(8-14)4-2-1-3-5-12/h6-7H,1-5H2,(H,15,16).
What are the key properties of N-(1-cyanocyclohexyl)-5-iodothiophene-3-carboxamide?
N-(1-cyanocyclohexyl)-5-iodothiophene-3-carboxamide has a molecular weight of 360.22 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 78949949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).