[4-[[(3-propylcyclopentanecarbonyl)amino]methyl]cyclohepta-1,4,6-trien-1-yl] thiohypofluorite

C17H24FNOS — CID 154931540

IUPAC[4-[[(3-propylcyclopentanecarbonyl)amino]methyl]cyclohepta-1,4,6-trien-1-yl] thiohypofluorite
SMILESCCCC1CCC(C(=O)NCC2=CC=CC(SF)=CC2)C1
InChIInChI=1S/C17H24FNOS/c1-2-4-13-7-9-15(11-13)17(20)19-12-14-5-3-6-16(21-18)10-8-14/h3,5-6,10,13,15H,2,4,7-9,11-12H2,1H3,(H,19,20)
InChIKeyUTOIWYISSPKNOA-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.71
Rot. Bonds6

About [4-[[(3-propylcyclopentanecarbonyl)amino]methyl]cyclohepta-1,4,6-trien-1-yl] thiohypofluorite

[4-[[(3-propylcyclopentanecarbonyl)amino]methyl]cyclohepta-1,4,6-trien-1-yl] thiohypofluorite (PubChem CID 154931540) has the molecular formula C17H24FNOS and a molecular weight of 309.45 g/mol. Its IUPAC name is [4-[[(3-propylcyclopentanecarbonyl)amino]methyl]cyclohepta-1,4,6-trien-1-yl] thiohypofluorite.

Molecular Properties

Compound Name[4-[[(3-propylcyclopentanecarbonyl)amino]methyl]cyclohepta-1,4,6-trien-1-yl] thiohypofluorite
PubChem CID154931540
Molecular FormulaC17H24FNOS
Molecular Weight309.45 g/mol
Exact Mass309.16
IUPAC Name[4-[[(3-propylcyclopentanecarbonyl)amino]methyl]cyclohepta-1,4,6-trien-1-yl] thiohypofluorite
SMILESCCCC1CCC(C(=O)NCC2=CC=CC(SF)=CC2)C1
InChIInChI=1S/C17H24FNOS/c1-2-4-13-7-9-15(11-13)17(20)19-12-14-5-3-6-16(21-18)10-8-14/h3,5-6,10,13,15H,2,4,7-9,11-12H2,1H3,(H,19,20)
InChIKeyUTOIWYISSPKNOA-UHFFFAOYSA-N
XLogP4.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[[(3-propylcyclopentanecarbonyl)amino]methyl]cyclohepta-1,4,6-trien-1-yl] thiohypofluorite?
The IUPAC name of [4-[[(3-propylcyclopentanecarbonyl)amino]methyl]cyclohepta-1,4,6-trien-1-yl] thiohypofluorite (CID 154931540) is [4-[[(3-propylcyclopentanecarbonyl)amino]methyl]cyclohepta-1,4,6-trien-1-yl] thiohypofluorite.
What is the SMILES notation for [4-[[(3-propylcyclopentanecarbonyl)amino]methyl]cyclohepta-1,4,6-trien-1-yl] thiohypofluorite?
The canonical SMILES for [4-[[(3-propylcyclopentanecarbonyl)amino]methyl]cyclohepta-1,4,6-trien-1-yl] thiohypofluorite is CCCC1CCC(C(=O)NCC2=CC=CC(SF)=CC2)C1.
What is the InChIKey of [4-[[(3-propylcyclopentanecarbonyl)amino]methyl]cyclohepta-1,4,6-trien-1-yl] thiohypofluorite?
The InChIKey is UTOIWYISSPKNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNOS/c1-2-4-13-7-9-15(11-13)17(20)19-12-14-5-3-6-16(21-18)10-8-14/h3,5-6,10,13,15H,2,4,7-9,11-12H2,1H3,(H,19,20).
What are the key properties of [4-[[(3-propylcyclopentanecarbonyl)amino]methyl]cyclohepta-1,4,6-trien-1-yl] thiohypofluorite?
[4-[[(3-propylcyclopentanecarbonyl)amino]methyl]cyclohepta-1,4,6-trien-1-yl] thiohypofluorite has a molecular weight of 309.45 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(3-propylcyclopentanecarbonyl)amino]methyl]cyclohepta-1,4,6-trien-1-yl] thiohypofluorite is sourced from PubChem (CID 154931540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).