N'-hydroxy-1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-4-carboximidamide

C13H15N3O2S2 — CID 80745423

IUPACN'-hydroxy-1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-4-carboximidamide
SMILESN/C(=N/O)C1CCN(C(=O)c2cc3sccc3s2)CC1
InChIInChI=1S/C13H15N3O2S2/c14-12(15-18)8-1-4-16(5-2-8)13(17)11-7-10-9(20-11)3-6-19-10/h3,6-8,18H,1-2,4-5H2,(H2,14,15)
InChIKeyHSGRNBDCEDGJLT-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.56
Rot. Bonds2

About N'-hydroxy-1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-4-carboximidamide

N'-hydroxy-1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-4-carboximidamide (PubChem CID 80745423) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is N'-hydroxy-1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-4-carboximidamide
PubChem CID80745423
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC NameN'-hydroxy-1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-4-carboximidamide
SMILESN/C(=N/O)C1CCN(C(=O)c2cc3sccc3s2)CC1
InChIInChI=1S/C13H15N3O2S2/c14-12(15-18)8-1-4-16(5-2-8)13(17)11-7-10-9(20-11)3-6-19-10/h3,6-8,18H,1-2,4-5H2,(H2,14,15)
InChIKeyHSGRNBDCEDGJLT-UHFFFAOYSA-N
XLogP2.56
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(bromomethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 80740068
(3-bromo-4-methylpiperidin-1-yl)-thieno[3,2-b]thiophen-5-ylmethanone
CID 102962098
1-(3-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038674
[2-(hydroxymethyl)azepan-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 116636360
[2-(bromomethyl)azepan-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 116639438
1-(2,5-dibromothiophene-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 107965214
[4-(piperidin-4-ylmethyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride
CID 119932470
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride
CID 119345742
[2-(1-aminoethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 80745111
2-amino-2-phenyl-1-[4-(thieno[3,2-b]thiophene-5-carbonyl)piperazin-1-yl]propan-1-one
CID 120594453
[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone;hydrochloride
CID 120639154
cyclobutyl(thieno[3,2-b]thiophen-5-yl)methanone
CID 115811428

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-4-carboximidamide (CID 80745423) is N'-hydroxy-1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-4-carboximidamide is N/C(=N/O)C1CCN(C(=O)c2cc3sccc3s2)CC1.
What is the InChIKey of N'-hydroxy-1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-4-carboximidamide?
The InChIKey is HSGRNBDCEDGJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c14-12(15-18)8-1-4-16(5-2-8)13(17)11-7-10-9(20-11)3-6-19-10/h3,6-8,18H,1-2,4-5H2,(H2,14,15).
What are the key properties of N'-hydroxy-1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-4-carboximidamide?
N'-hydroxy-1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-4-carboximidamide has a molecular weight of 309.42 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-4-carboximidamide is sourced from PubChem (CID 80745423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).