N-amino-N'-cyclohexylthieno[3,2-b]thiophene-5-carboximidamide

C13H17N3S2 — CID 80745333

IUPACN-amino-N'-cyclohexylthieno[3,2-b]thiophene-5-carboximidamide
SMILESNN/C(=N\C1CCCCC1)c1cc2sccc2s1
InChIInChI=1S/C13H17N3S2/c14-16-13(15-9-4-2-1-3-5-9)12-8-11-10(18-12)6-7-17-11/h6-9H,1-5,14H2,(H,15,16)
InChIKeyYFGXIXRDRIATIS-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.51
Rot. Bonds2

About N-amino-N'-cyclohexylthieno[3,2-b]thiophene-5-carboximidamide

N-amino-N'-cyclohexylthieno[3,2-b]thiophene-5-carboximidamide (PubChem CID 80745333) has the molecular formula C13H17N3S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is N-amino-N'-cyclohexylthieno[3,2-b]thiophene-5-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclohexylthieno[3,2-b]thiophene-5-carboximidamide
PubChem CID80745333
Molecular FormulaC13H17N3S2
Molecular Weight279.43 g/mol
Exact Mass279.09
IUPAC NameN-amino-N'-cyclohexylthieno[3,2-b]thiophene-5-carboximidamide
SMILESNN/C(=N\C1CCCCC1)c1cc2sccc2s1
InChIInChI=1S/C13H17N3S2/c14-16-13(15-9-4-2-1-3-5-9)12-8-11-10(18-12)6-7-17-11/h6-9H,1-5,14H2,(H,15,16)
InChIKeyYFGXIXRDRIATIS-UHFFFAOYSA-N
XLogP3.51
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-4,5-dibromo-N'-cycloheptylthiophene-2-carboximidamide
CID 80538901
N-amino-4,5-dibromo-N'-cyclopentylthiophene-2-carboximidamide
CID 80538881
N-amino-3-bromo-N'-cyclohexylthiophene-2-carboximidamide
CID 63796658
N-amino-N'-phenylthieno[3,2-b]thiophene-5-carboximidamide
CID 80745533
cycloheptyl(thieno[3,2-b]thiophen-5-yl)methanone
CID 115794767
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
N-amino-N'-cyclohexyl-5-iodothiophene-3-carboximidamide
CID 79684408
ethyl 1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-2-carboxylate
CID 78991939
N-amino-4-bromo-N'-cyclohexylbenzenecarboximidamide
CID 61363305
cyclobutyl(thieno[3,2-b]thiophen-5-yl)methanone
CID 115811428
N-amino-N'-cycloheptylpyridine-4-carboximidamide
CID 61361751
N-amino-3,4-dichloro-N'-cyclohexylbenzenecarboximidamide
CID 61361117

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclohexylthieno[3,2-b]thiophene-5-carboximidamide?
The IUPAC name of N-amino-N'-cyclohexylthieno[3,2-b]thiophene-5-carboximidamide (CID 80745333) is N-amino-N'-cyclohexylthieno[3,2-b]thiophene-5-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclohexylthieno[3,2-b]thiophene-5-carboximidamide?
The canonical SMILES for N-amino-N'-cyclohexylthieno[3,2-b]thiophene-5-carboximidamide is NN/C(=N\C1CCCCC1)c1cc2sccc2s1.
What is the InChIKey of N-amino-N'-cyclohexylthieno[3,2-b]thiophene-5-carboximidamide?
The InChIKey is YFGXIXRDRIATIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S2/c14-16-13(15-9-4-2-1-3-5-9)12-8-11-10(18-12)6-7-17-11/h6-9H,1-5,14H2,(H,15,16).
What are the key properties of N-amino-N'-cyclohexylthieno[3,2-b]thiophene-5-carboximidamide?
N-amino-N'-cyclohexylthieno[3,2-b]thiophene-5-carboximidamide has a molecular weight of 279.43 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclohexylthieno[3,2-b]thiophene-5-carboximidamide is sourced from PubChem (CID 80745333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).