N'-hydroxy-3-thiophen-2-ylsulfanylpentanimidamide

C9H14N2OS2 — CID 43369063

IUPACN'-hydroxy-3-thiophen-2-ylsulfanylpentanimidamide
SMILESCCC(C/C(N)=N/O)Sc1cccs1
InChIInChI=1S/C9H14N2OS2/c1-2-7(6-8(10)11-12)14-9-4-3-5-13-9/h3-5,7,12H,2,6H2,1H3,(H2,10,11)
InChIKeyVXIYOULXWSRTRQ-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.76
Rot. Bonds5

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

N'-hydroxy-3-thiophen-2-ylsulfanylpentanimidamide (PubChem CID 43369063) has the molecular formula C9H14N2OS2 and a molecular weight of 230.36 g/mol. Its IUPAC name is N'-hydroxy-3-thiophen-2-ylsulfanylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-thiophen-2-ylsulfanylpentanimidamide
PubChem CID43369063
Molecular FormulaC9H14N2OS2
Molecular Weight230.36 g/mol
Exact Mass230.05
IUPAC NameN'-hydroxy-3-thiophen-2-ylsulfanylpentanimidamide
SMILESCCC(C/C(N)=N/O)Sc1cccs1
InChIInChI=1S/C9H14N2OS2/c1-2-7(6-8(10)11-12)14-9-4-3-5-13-9/h3-5,7,12H,2,6H2,1H3,(H2,10,11)
InChIKeyVXIYOULXWSRTRQ-UHFFFAOYSA-N
XLogP2.76
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.76
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
3,3,3-trifluoro-N'-hydroxy-2-(thiophen-2-ylsulfanylmethyl)propanimidamide
CID 103371309
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
N'-hydroxy-2-methyl-3-thiophen-2-ylsulfanylpropanimidamide
CID 43369064
3-Thiophen-2-ylsulfanylpentanimidamide
CID 43369097
2-Methyl-3-thiophen-2-ylsulfanylpropanimidamide
CID 43369098
3-Thiophen-2-ylsulfanylbutanimidamide
CID 60913846

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-thiophen-2-ylsulfanylpentanimidamide?
The IUPAC name of N'-hydroxy-3-thiophen-2-ylsulfanylpentanimidamide (CID 43369063) is N'-hydroxy-3-thiophen-2-ylsulfanylpentanimidamide.
What is the SMILES notation for N'-hydroxy-3-thiophen-2-ylsulfanylpentanimidamide?
The canonical SMILES for N'-hydroxy-3-thiophen-2-ylsulfanylpentanimidamide is CCC(C/C(N)=N/O)Sc1cccs1.
What is the InChIKey of N'-hydroxy-3-thiophen-2-ylsulfanylpentanimidamide?
The InChIKey is VXIYOULXWSRTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS2/c1-2-7(6-8(10)11-12)14-9-4-3-5-13-9/h3-5,7,12H,2,6H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-3-thiophen-2-ylsulfanylpentanimidamide?
N'-hydroxy-3-thiophen-2-ylsulfanylpentanimidamide has a molecular weight of 230.36 g/mol, XLogP of 2.76, 5 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-ylsulfanylpentanimidamide is sourced from PubChem (CID 43369063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).