3-fluoro-N-(thiolan-3-yl)benzamide

C11H12FNOS — CID 126773687

IUPAC3-fluoro-N-(thiolan-3-yl)benzamide
SMILESO=C(NC1CCSC1)c1cccc(F)c1
InChIInChI=1S/C11H12FNOS/c12-9-3-1-2-8(6-9)11(14)13-10-4-5-15-7-10/h1-3,6,10H,4-5,7H2,(H,13,14)
InChIKeyXUKVWHVDLBOHKR-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.06
Rot. Bonds2

About 3-fluoro-N-(thiolan-3-yl)benzamide

3-fluoro-N-(thiolan-3-yl)benzamide (PubChem CID 126773687) has the molecular formula C11H12FNOS and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-fluoro-N-(thiolan-3-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(thiolan-3-yl)benzamide
PubChem CID126773687
Molecular FormulaC11H12FNOS
Molecular Weight225.29 g/mol
Exact Mass225.06
IUPAC Name3-fluoro-N-(thiolan-3-yl)benzamide
SMILESO=C(NC1CCSC1)c1cccc(F)c1
InChIInChI=1S/C11H12FNOS/c12-9-3-1-2-8(6-9)11(14)13-10-4-5-15-7-10/h1-3,6,10H,4-5,7H2,(H,13,14)
InChIKeyXUKVWHVDLBOHKR-UHFFFAOYSA-N
XLogP2.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(E)-N'-hydroxycarbamimidoyl]-N-(thiolan-3-yl)benzamide
CID 103064332
N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 43653117
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 61238981
N-[4-(ethylamino)cyclohexyl]-3-fluorobenzamide
CID 43653350
3-fluoro-N-(2-oxopiperidin-4-yl)benzamide
CID 112534527
N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]-3-fluorobenzamide
CID 71561313
2-amino-N-(thiolan-3-yl)-1,3-benzothiazole-6-carboxamide
CID 103063030
N-(3-fluorophenyl)thiolan-3-amine
CID 43194212
3-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 40605325
2,3-dihydroxy-N-(thiolan-3-yl)benzamide
CID 103063299
4-(bromomethyl)-N-(thiolan-3-yl)benzamide
CID 103062722
3-fluoro-4-(4-hydroxybut-1-ynyl)-N-(thiolan-3-yl)benzamide
CID 103064415

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(thiolan-3-yl)benzamide?
The IUPAC name of 3-fluoro-N-(thiolan-3-yl)benzamide (CID 126773687) is 3-fluoro-N-(thiolan-3-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-(thiolan-3-yl)benzamide?
The canonical SMILES for 3-fluoro-N-(thiolan-3-yl)benzamide is O=C(NC1CCSC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(thiolan-3-yl)benzamide?
The InChIKey is XUKVWHVDLBOHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNOS/c12-9-3-1-2-8(6-9)11(14)13-10-4-5-15-7-10/h1-3,6,10H,4-5,7H2,(H,13,14).
What are the key properties of 3-fluoro-N-(thiolan-3-yl)benzamide?
3-fluoro-N-(thiolan-3-yl)benzamide has a molecular weight of 225.29 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(thiolan-3-yl)benzamide is sourced from PubChem (CID 126773687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).