3-thiophen-2-ylsulfanylpentanimidamide

C9H14N2S2 — CID 43369097

IUPAC3-thiophen-2-ylsulfanylpentanimidamide
SMILES[H]/N=C(\N)CC(CC)Sc1cccs1
InChIInChI=1S/C9H14N2S2/c1-2-7(6-8(10)11)13-9-4-3-5-12-9/h3-5,7H,2,6H2,1H3,(H3,10,11)
InChIKeyAASSXEGWZNVVSE-UHFFFAOYSA-N
MW214.36 g/mol
LogP2.94
Rot. Bonds5

About 3-thiophen-2-ylsulfanylpentanimidamide

3-thiophen-2-ylsulfanylpentanimidamide (PubChem CID 43369097) has the molecular formula C9H14N2S2 and a molecular weight of 214.36 g/mol. Its IUPAC name is 3-thiophen-2-ylsulfanylpentanimidamide.

Molecular Properties

Compound Name3-thiophen-2-ylsulfanylpentanimidamide
PubChem CID43369097
Molecular FormulaC9H14N2S2
Molecular Weight214.36 g/mol
Exact Mass214.06
IUPAC Name3-thiophen-2-ylsulfanylpentanimidamide
SMILES[H]/N=C(\N)CC(CC)Sc1cccs1
InChIInChI=1S/C9H14N2S2/c1-2-7(6-8(10)11)13-9-4-3-5-12-9/h3-5,7H,2,6H2,1H3,(H3,10,11)
InChIKeyAASSXEGWZNVVSE-UHFFFAOYSA-N
XLogP2.94
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-ylsulfanylpentanimidamide?
The IUPAC name of 3-thiophen-2-ylsulfanylpentanimidamide (CID 43369097) is 3-thiophen-2-ylsulfanylpentanimidamide.
What is the SMILES notation for 3-thiophen-2-ylsulfanylpentanimidamide?
The canonical SMILES for 3-thiophen-2-ylsulfanylpentanimidamide is [H]/N=C(\N)CC(CC)Sc1cccs1.
What is the InChIKey of 3-thiophen-2-ylsulfanylpentanimidamide?
The InChIKey is AASSXEGWZNVVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S2/c1-2-7(6-8(10)11)13-9-4-3-5-12-9/h3-5,7H,2,6H2,1H3,(H3,10,11).
What are the key properties of 3-thiophen-2-ylsulfanylpentanimidamide?
3-thiophen-2-ylsulfanylpentanimidamide has a molecular weight of 214.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylsulfanylpentanimidamide is sourced from PubChem (CID 43369097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).