N'-(1-cyanocyclohexanecarbonyl)thiophene-2-carbohydrazide

C13H15N3O2S — CID 75417159

IUPACN'-(1-cyanocyclohexanecarbonyl)thiophene-2-carbohydrazide
SMILESN#CC1(C(=O)NNC(=O)c2cccs2)CCCCC1
InChIInChI=1S/C13H15N3O2S/c14-9-13(6-2-1-3-7-13)12(18)16-15-11(17)10-5-4-8-19-10/h4-5,8H,1-3,6-7H2,(H,15,17)(H,16,18)
InChIKeyWJEOFMQPFLMWGO-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.98
Rot. Bonds2

About N'-(1-cyanocyclohexanecarbonyl)thiophene-2-carbohydrazide

N'-(1-cyanocyclohexanecarbonyl)thiophene-2-carbohydrazide (PubChem CID 75417159) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N'-(1-cyanocyclohexanecarbonyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(1-cyanocyclohexanecarbonyl)thiophene-2-carbohydrazide
PubChem CID75417159
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN'-(1-cyanocyclohexanecarbonyl)thiophene-2-carbohydrazide
SMILESN#CC1(C(=O)NNC(=O)c2cccs2)CCCCC1
InChIInChI=1S/C13H15N3O2S/c14-9-13(6-2-1-3-7-13)12(18)16-15-11(17)10-5-4-8-19-10/h4-5,8H,1-3,6-7H2,(H,15,17)(H,16,18)
InChIKeyWJEOFMQPFLMWGO-UHFFFAOYSA-N
XLogP1.98
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-carbamothioylcyclohexyl)thiophene-2-carboxamide
CID 61121515
1-cyano-N-(2-thiophen-2-ylethyl)cyclobutane-1-carboxamide
CID 78994707
N-[4-[(1-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide
CID 119309327
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
N'-(3-cyanobenzoyl)thiophene-2-carbohydrazide
CID 7979408
1-cyano-N-(2,3-dichlorophenyl)cyclopentane-1-carboxamide
CID 51246250
N-[4-[(1-hydroxycyclopentanecarbonyl)amino]phenyl]thiophene-2-carboxamide
CID 110911583
4-[(4-chlorophenoxy)methyl]-N'-(1-cyanocyclohexanecarbonyl)benzohydrazide
CID 60584363
1-amino-3-(thiophene-2-carbonylamino)urea
CID 141065921
N-(dicyanomethyl)thiophene-2-carboxamide
CID 22299074
N'-(1-thiophen-2-ylethenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 2663641
N-[2-[[1-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 62520738

Frequently Asked Questions

What is the IUPAC name of N'-(1-cyanocyclohexanecarbonyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(1-cyanocyclohexanecarbonyl)thiophene-2-carbohydrazide (CID 75417159) is N'-(1-cyanocyclohexanecarbonyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(1-cyanocyclohexanecarbonyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(1-cyanocyclohexanecarbonyl)thiophene-2-carbohydrazide is N#CC1(C(=O)NNC(=O)c2cccs2)CCCCC1.
What is the InChIKey of N'-(1-cyanocyclohexanecarbonyl)thiophene-2-carbohydrazide?
The InChIKey is WJEOFMQPFLMWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c14-9-13(6-2-1-3-7-13)12(18)16-15-11(17)10-5-4-8-19-10/h4-5,8H,1-3,6-7H2,(H,15,17)(H,16,18).
What are the key properties of N'-(1-cyanocyclohexanecarbonyl)thiophene-2-carbohydrazide?
N'-(1-cyanocyclohexanecarbonyl)thiophene-2-carbohydrazide has a molecular weight of 277.35 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyanocyclohexanecarbonyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 75417159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).