5-(2-methylfuran-3-yl)sulfanylpentanimidamide

C10H16N2OS — CID 107780480

IUPAC5-(2-methylfuran-3-yl)sulfanylpentanimidamide
SMILES[H]/N=C(\N)CCCCSc1ccoc1C
InChIInChI=1S/C10H16N2OS/c1-8-9(5-6-13-8)14-7-3-2-4-10(11)12/h5-6H,2-4,7H2,1H3,(H3,11,12)
InChIKeyDQQZEIJGJKFEPK-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.79
Rot. Bonds6

About 5-(2-methylfuran-3-yl)sulfanylpentanimidamide

5-(2-methylfuran-3-yl)sulfanylpentanimidamide (PubChem CID 107780480) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 5-(2-methylfuran-3-yl)sulfanylpentanimidamide.

Molecular Properties

Compound Name5-(2-methylfuran-3-yl)sulfanylpentanimidamide
PubChem CID107780480
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name5-(2-methylfuran-3-yl)sulfanylpentanimidamide
SMILES[H]/N=C(\N)CCCCSc1ccoc1C
InChIInChI=1S/C10H16N2OS/c1-8-9(5-6-13-8)14-7-3-2-4-10(11)12/h5-6H,2-4,7H2,1H3,(H3,11,12)
InChIKeyDQQZEIJGJKFEPK-UHFFFAOYSA-N
XLogP2.79
TPSA63.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 5-(2-methylfuran-3-yl)sulfanylpentanimidamide?
The IUPAC name of 5-(2-methylfuran-3-yl)sulfanylpentanimidamide (CID 107780480) is 5-(2-methylfuran-3-yl)sulfanylpentanimidamide.
What is the SMILES notation for 5-(2-methylfuran-3-yl)sulfanylpentanimidamide?
The canonical SMILES for 5-(2-methylfuran-3-yl)sulfanylpentanimidamide is [H]/N=C(\N)CCCCSc1ccoc1C.
What is the InChIKey of 5-(2-methylfuran-3-yl)sulfanylpentanimidamide?
The InChIKey is DQQZEIJGJKFEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8-9(5-6-13-8)14-7-3-2-4-10(11)12/h5-6H,2-4,7H2,1H3,(H3,11,12).
What are the key properties of 5-(2-methylfuran-3-yl)sulfanylpentanimidamide?
5-(2-methylfuran-3-yl)sulfanylpentanimidamide has a molecular weight of 212.32 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylfuran-3-yl)sulfanylpentanimidamide is sourced from PubChem (CID 107780480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).