5-(dithiolan-3-yl)-N-iodopentanamide

C8H14INOS2 — CID 90260241

IUPAC5-(dithiolan-3-yl)-N-iodopentanamide
SMILESO=C(CCCCC1CCSS1)NI
InChIInChI=1S/C8H14INOS2/c9-10-8(11)4-2-1-3-7-5-6-12-13-7/h7H,1-6H2,(H,10,11)
InChIKeyVDRUVAXSBCOFKR-UHFFFAOYSA-N
MW331.24 g/mol
LogP3.17
Rot. Bonds5

About 5-(dithiolan-3-yl)-N-iodopentanamide

5-(dithiolan-3-yl)-N-iodopentanamide (PubChem CID 90260241) has the molecular formula C8H14INOS2 and a molecular weight of 331.24 g/mol. Its IUPAC name is 5-(dithiolan-3-yl)-N-iodopentanamide.

Molecular Properties

Compound Name5-(dithiolan-3-yl)-N-iodopentanamide
PubChem CID90260241
Molecular FormulaC8H14INOS2
Molecular Weight331.24 g/mol
Exact Mass330.96
IUPAC Name5-(dithiolan-3-yl)-N-iodopentanamide
SMILESO=C(CCCCC1CCSS1)NI
InChIInChI=1S/C8H14INOS2/c9-10-8(11)4-2-1-3-7-5-6-12-13-7/h7H,1-6H2,(H,10,11)
InChIKeyVDRUVAXSBCOFKR-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(dithiolan-3-yl)-N-iodopentanamide?
The IUPAC name of 5-(dithiolan-3-yl)-N-iodopentanamide (CID 90260241) is 5-(dithiolan-3-yl)-N-iodopentanamide.
What is the SMILES notation for 5-(dithiolan-3-yl)-N-iodopentanamide?
The canonical SMILES for 5-(dithiolan-3-yl)-N-iodopentanamide is O=C(CCCCC1CCSS1)NI.
What is the InChIKey of 5-(dithiolan-3-yl)-N-iodopentanamide?
The InChIKey is VDRUVAXSBCOFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14INOS2/c9-10-8(11)4-2-1-3-7-5-6-12-13-7/h7H,1-6H2,(H,10,11).
What are the key properties of 5-(dithiolan-3-yl)-N-iodopentanamide?
5-(dithiolan-3-yl)-N-iodopentanamide has a molecular weight of 331.24 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dithiolan-3-yl)-N-iodopentanamide is sourced from PubChem (CID 90260241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).