N-(cycloheptylideneamino)-2-(2-fluorophenyl)sulfanylacetamide

C15H19FN2OS — CID 4848869

IUPACN-(cycloheptylideneamino)-2-(2-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1F)NN=C1CCCCCC1
InChIInChI=1S/C15H19FN2OS/c16-13-9-5-6-10-14(13)20-11-15(19)18-17-12-7-3-1-2-4-8-12/h5-6,9-10H,1-4,7-8,11H2,(H,18,19)
InChIKeyQMNCAUKKZGRLSZ-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.74
Rot. Bonds4

About N-(cycloheptylideneamino)-2-(2-fluorophenyl)sulfanylacetamide

N-(cycloheptylideneamino)-2-(2-fluorophenyl)sulfanylacetamide (PubChem CID 4848869) has the molecular formula C15H19FN2OS and a molecular weight of 294.39 g/mol. Its IUPAC name is N-(cycloheptylideneamino)-2-(2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(cycloheptylideneamino)-2-(2-fluorophenyl)sulfanylacetamide
PubChem CID4848869
Molecular FormulaC15H19FN2OS
Molecular Weight294.39 g/mol
Exact Mass294.12
IUPAC NameN-(cycloheptylideneamino)-2-(2-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1F)NN=C1CCCCCC1
InChIInChI=1S/C15H19FN2OS/c16-13-9-5-6-10-14(13)20-11-15(19)18-17-12-7-3-1-2-4-8-12/h5-6,9-10H,1-4,7-8,11H2,(H,18,19)
InChIKeyQMNCAUKKZGRLSZ-UHFFFAOYSA-N
XLogP3.74
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylideneamino)-2-(2-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(cycloheptylideneamino)-2-(2-fluorophenyl)sulfanylacetamide (CID 4848869) is N-(cycloheptylideneamino)-2-(2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(cycloheptylideneamino)-2-(2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(cycloheptylideneamino)-2-(2-fluorophenyl)sulfanylacetamide is O=C(CSc1ccccc1F)NN=C1CCCCCC1.
What is the InChIKey of N-(cycloheptylideneamino)-2-(2-fluorophenyl)sulfanylacetamide?
The InChIKey is QMNCAUKKZGRLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS/c16-13-9-5-6-10-14(13)20-11-15(19)18-17-12-7-3-1-2-4-8-12/h5-6,9-10H,1-4,7-8,11H2,(H,18,19).
What are the key properties of N-(cycloheptylideneamino)-2-(2-fluorophenyl)sulfanylacetamide?
N-(cycloheptylideneamino)-2-(2-fluorophenyl)sulfanylacetamide has a molecular weight of 294.39 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylideneamino)-2-(2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 4848869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).