N-(1-cyanocycloheptyl)thiophene-3-carboxamide

C13H16N2OS — CID 54904351

IUPACN-(1-cyanocycloheptyl)thiophene-3-carboxamide
SMILESN#CC1(NC(=O)c2ccsc2)CCCCCC1
InChIInChI=1S/C13H16N2OS/c14-10-13(6-3-1-2-4-7-13)15-12(16)11-5-8-17-9-11/h5,8-9H,1-4,6-7H2,(H,15,16)
InChIKeyHIKYWVYDCCPNJK-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.09
Rot. Bonds2

About N-(1-cyanocycloheptyl)thiophene-3-carboxamide

N-(1-cyanocycloheptyl)thiophene-3-carboxamide (PubChem CID 54904351) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)thiophene-3-carboxamide
PubChem CID54904351
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-(1-cyanocycloheptyl)thiophene-3-carboxamide
SMILESN#CC1(NC(=O)c2ccsc2)CCCCCC1
InChIInChI=1S/C13H16N2OS/c14-10-13(6-3-1-2-4-7-13)15-12(16)11-5-8-17-9-11/h5,8-9H,1-4,6-7H2,(H,15,16)
InChIKeyHIKYWVYDCCPNJK-UHFFFAOYSA-N
XLogP3.09
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123
N-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide
CID 104938860
N-[1-(hydroxymethyl)cyclohexyl]thiophene-3-carboxamide
CID 62520743
N-(1-cyanocyclohexyl)-5-iodothiophene-3-carboxamide
CID 78949949
N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 60660161
N-(1-cyanocycloheptyl)furan-3-carboxamide
CID 54904387
N-(1-cyanocyclohexyl)pyridazine-4-carboxamide
CID 112705399
N-(1-cyanocyclooctyl)-3-methylthiophene-2-carboxamide
CID 54904547
N-(1-cyanocycloheptyl)-4-(dimethylamino)benzamide
CID 60966830
2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid
CID 64670782
N-(1-cyanocyclopentyl)-5-iodothiophene-3-carboxamide
CID 78950202
N-(1-cyanocyclooctyl)-3-fluorobenzamide
CID 60968532

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)thiophene-3-carboxamide?
The IUPAC name of N-(1-cyanocycloheptyl)thiophene-3-carboxamide (CID 54904351) is N-(1-cyanocycloheptyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)thiophene-3-carboxamide?
The canonical SMILES for N-(1-cyanocycloheptyl)thiophene-3-carboxamide is N#CC1(NC(=O)c2ccsc2)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)thiophene-3-carboxamide?
The InChIKey is HIKYWVYDCCPNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c14-10-13(6-3-1-2-4-7-13)15-12(16)11-5-8-17-9-11/h5,8-9H,1-4,6-7H2,(H,15,16).
What are the key properties of N-(1-cyanocycloheptyl)thiophene-3-carboxamide?
N-(1-cyanocycloheptyl)thiophene-3-carboxamide has a molecular weight of 248.35 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)thiophene-3-carboxamide is sourced from PubChem (CID 54904351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).