N'-hydroxy-3-thiophen-2-ylsulfanylbutanimidamide

C8H12N2OS2 — CID 76883599

IUPACN'-hydroxy-3-thiophen-2-ylsulfanylbutanimidamide
SMILESCC(CC(N)=NO)Sc1cccs1
InChIInChI=1S/C8H12N2OS2/c1-6(5-7(9)10-11)13-8-3-2-4-12-8/h2-4,6,11H,5H2,1H3,(H2,9,10)
InChIKeyDPKQDFGSGAJAQL-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.37
Rot. Bonds4

About N'-hydroxy-3-thiophen-2-ylsulfanylbutanimidamide

N'-hydroxy-3-thiophen-2-ylsulfanylbutanimidamide (PubChem CID 76883599) has the molecular formula C8H12N2OS2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N'-hydroxy-3-thiophen-2-ylsulfanylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-thiophen-2-ylsulfanylbutanimidamide
PubChem CID76883599
Molecular FormulaC8H12N2OS2
Molecular Weight216.33 g/mol
Exact Mass216.04
IUPAC NameN'-hydroxy-3-thiophen-2-ylsulfanylbutanimidamide
SMILESCC(CC(N)=NO)Sc1cccs1
InChIInChI=1S/C8H12N2OS2/c1-6(5-7(9)10-11)13-8-3-2-4-12-8/h2-4,6,11H,5H2,1H3,(H2,9,10)
InChIKeyDPKQDFGSGAJAQL-UHFFFAOYSA-N
XLogP2.37
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-Hydroxy-2-(2-thienylthio)ethanimidamide
CID 2819636
N'-hydroxy-2-thiophen-2-ylsulfanylethanimidamide
CID 5715529
N-Hydroxy[(thiophen-2-yl)sulfanyl]ethanimidamide
CID 9584229
N-Hydroxy-2-(thiophen-2-ylsulfonyl)acetimidamide
CID 9582211
N'-hydroxy-2-thiophen-2-ylsulfonylethanimidamide
CID 2778630
(1Z)-N'-hydroxy-2-(2-thienylsulfonyl)ethanimidamide
CID 5708974
3,3,3-trifluoro-N'-hydroxy-2-(thiophen-2-ylsulfanylmethyl)propanimidamide
CID 103371309
2-Thiophen-2-ylsulfanylethanimidamide
CID 28602932
3-Thiophen-2-ylsulfanylpropanimidamide
CID 28602936
4-Thiophen-2-ylsulfanylbutanimidamide
CID 28602938
N'-hydroxy-4-thiophen-2-ylsulfanylbutanimidamide
CID 43200142
N'-hydroxy-3-thiophen-2-ylsulfanylpropanimidamide
CID 43200144

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-thiophen-2-ylsulfanylbutanimidamide?
The IUPAC name of N'-hydroxy-3-thiophen-2-ylsulfanylbutanimidamide (CID 76883599) is N'-hydroxy-3-thiophen-2-ylsulfanylbutanimidamide.
What is the SMILES notation for N'-hydroxy-3-thiophen-2-ylsulfanylbutanimidamide?
The canonical SMILES for N'-hydroxy-3-thiophen-2-ylsulfanylbutanimidamide is CC(CC(N)=NO)Sc1cccs1.
What is the InChIKey of N'-hydroxy-3-thiophen-2-ylsulfanylbutanimidamide?
The InChIKey is DPKQDFGSGAJAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS2/c1-6(5-7(9)10-11)13-8-3-2-4-12-8/h2-4,6,11H,5H2,1H3,(H2,9,10).
What are the key properties of N'-hydroxy-3-thiophen-2-ylsulfanylbutanimidamide?
N'-hydroxy-3-thiophen-2-ylsulfanylbutanimidamide has a molecular weight of 216.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-thiophen-2-ylsulfanylbutanimidamide is sourced from PubChem (CID 76883599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).