nonyl N-[(4-fluorobenzoyl)amino]carbamodithioate

C17H25FN2OS2 — CID 12948623

IUPACnonyl N-[(4-fluorobenzoyl)amino]carbamodithioate
SMILESCCCCCCCCCSC(=S)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2OS2/c1-2-3-4-5-6-7-8-13-23-17(22)20-19-16(21)14-9-11-15(18)12-10-14/h9-12H,2-8,13H2,1H3,(H,19,21)(H,20,22)
InChIKeyWQOJSXIQENKUGF-UHFFFAOYSA-N
MW356.53 g/mol
LogP4.83
Rot. Bonds9

About nonyl N-[(4-fluorobenzoyl)amino]carbamodithioate

nonyl N-[(4-fluorobenzoyl)amino]carbamodithioate (PubChem CID 12948623) has the molecular formula C17H25FN2OS2 and a molecular weight of 356.53 g/mol. Its IUPAC name is nonyl N-[(4-fluorobenzoyl)amino]carbamodithioate.

Molecular Properties

Compound Namenonyl N-[(4-fluorobenzoyl)amino]carbamodithioate
PubChem CID12948623
Molecular FormulaC17H25FN2OS2
Molecular Weight356.53 g/mol
Exact Mass356.14
IUPAC Namenonyl N-[(4-fluorobenzoyl)amino]carbamodithioate
SMILESCCCCCCCCCSC(=S)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2OS2/c1-2-3-4-5-6-7-8-13-23-17(22)20-19-16(21)14-9-11-15(18)12-10-14/h9-12H,2-8,13H2,1H3,(H,19,21)(H,20,22)
InChIKeyWQOJSXIQENKUGF-UHFFFAOYSA-N
XLogP4.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.53
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nonyl N-[(4-fluorobenzoyl)amino]carbamodithioate?
The IUPAC name of nonyl N-[(4-fluorobenzoyl)amino]carbamodithioate (CID 12948623) is nonyl N-[(4-fluorobenzoyl)amino]carbamodithioate.
What is the SMILES notation for nonyl N-[(4-fluorobenzoyl)amino]carbamodithioate?
The canonical SMILES for nonyl N-[(4-fluorobenzoyl)amino]carbamodithioate is CCCCCCCCCSC(=S)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of nonyl N-[(4-fluorobenzoyl)amino]carbamodithioate?
The InChIKey is WQOJSXIQENKUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2OS2/c1-2-3-4-5-6-7-8-13-23-17(22)20-19-16(21)14-9-11-15(18)12-10-14/h9-12H,2-8,13H2,1H3,(H,19,21)(H,20,22).
What are the key properties of nonyl N-[(4-fluorobenzoyl)amino]carbamodithioate?
nonyl N-[(4-fluorobenzoyl)amino]carbamodithioate has a molecular weight of 356.53 g/mol, XLogP of 4.83, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl N-[(4-fluorobenzoyl)amino]carbamodithioate is sourced from PubChem (CID 12948623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).