N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylsulfanylpropanamide

C13H16FNOS2 — CID 24643568

IUPACN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NC1CCSc2ccc(F)cc21
InChIInChI=1S/C13H16FNOS2/c1-17-6-5-13(16)15-11-4-7-18-12-3-2-9(14)8-10(11)12/h2-3,8,11H,4-7H2,1H3,(H,15,16)
InChIKeyILCCALTUXCYMGW-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.23
Rot. Bonds4

About N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylsulfanylpropanamide

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylsulfanylpropanamide (PubChem CID 24643568) has the molecular formula C13H16FNOS2 and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylsulfanylpropanamide
PubChem CID24643568
Molecular FormulaC13H16FNOS2
Molecular Weight285.41 g/mol
Exact Mass285.07
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NC1CCSc2ccc(F)cc21
InChIInChI=1S/C13H16FNOS2/c1-17-6-5-13(16)15-11-4-7-18-12-3-2-9(14)8-10(11)12/h2-3,8,11H,4-7H2,1H3,(H,15,16)
InChIKeyILCCALTUXCYMGW-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
N-(4-fluorobenzyl)-2-[(4-methylphenyl)thio]propanamide
CID 2977027
3-[(2-fluorobenzyl)thio]-N-(1-phenylethyl)propanamide
CID 5053724
N-[(4-fluorophenyl)methyl]-2-phenylsulfanylacetamide
CID 894919
4-(methylthio)-N-thiochroman-4-yl-benzamide
CID 16305810
N-[2-(4-fluorophenyl)ethyl]-2-(phenylthio)acetamide
CID 1122115
N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 1244968
N-(1-Phenyl-ethyl)-2-p-tolylsulfanyl-acetamide
CID 2890360
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylacetamide
CID 16267081
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluorobenzamide
CID 18115527
N-(1-phenylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 4877543
N-benzyl-3-[(3-fluorophenyl)methylsulfanyl]propanamide
CID 5154303

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylsulfanylpropanamide?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylsulfanylpropanamide (CID 24643568) is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylsulfanylpropanamide is CSCCC(=O)NC1CCSc2ccc(F)cc21.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylsulfanylpropanamide?
The InChIKey is ILCCALTUXCYMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNOS2/c1-17-6-5-13(16)15-11-4-7-18-12-3-2-9(14)8-10(11)12/h2-3,8,11H,4-7H2,1H3,(H,15,16).
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylsulfanylpropanamide?
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylsulfanylpropanamide has a molecular weight of 285.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 24643568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).