5-anilino-2,3-dihydrothiopyran-4-one

C11H11NOS — CID 134864394

IUPAC5-anilino-2,3-dihydrothiopyran-4-one
SMILESO=C1CCSC=C1Nc1ccccc1
InChIInChI=1S/C11H11NOS/c13-11-6-7-14-8-10(11)12-9-4-2-1-3-5-9/h1-5,8,12H,6-7H2
InChIKeyFZQDBCUJHGZWES-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.65
Rot. Bonds2

About 5-anilino-2,3-dihydrothiopyran-4-one

5-anilino-2,3-dihydrothiopyran-4-one (PubChem CID 134864394) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 5-anilino-2,3-dihydrothiopyran-4-one.

Molecular Properties

Compound Name5-anilino-2,3-dihydrothiopyran-4-one
PubChem CID134864394
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name5-anilino-2,3-dihydrothiopyran-4-one
SMILESO=C1CCSC=C1Nc1ccccc1
InChIInChI=1S/C11H11NOS/c13-11-6-7-14-8-10(11)12-9-4-2-1-3-5-9/h1-5,8,12H,6-7H2
InChIKeyFZQDBCUJHGZWES-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thioglycolic acid anilide
CID 10382
Nsc190763
CID 302991
Carbamothioic acid, S-[2-oxo-2-(phenylamino)ethyl] ester
CID 224656
Carboxin M8
CID 85788112
S-(3-anilino-3-oxopropyl) ethanethioate
CID 891011
S-(3-anilino-2-methyl-3-oxopropyl) ethanethioate
CID 2828746
n-Phenyl-3-sulfanylpropanamide
CID 82464
Thiocarbanilic acid, S-cyclohexyl ester
CID 220328
S-(3-anilino-1-methyl-3-oxopropyl) ethanethioate
CID 2828747
2-Anilinocyclohexa-2,5-diene-1,4-dione
CID 2305241
3-(4-Methylsulfanylanilino)cyclohex-2-en-1-one
CID 17380137
(2-Anilino-2-oxoethyl)-dimethylsulfanium bromide
CID 118713929

Frequently Asked Questions

What is the IUPAC name of 5-anilino-2,3-dihydrothiopyran-4-one?
The IUPAC name of 5-anilino-2,3-dihydrothiopyran-4-one (CID 134864394) is 5-anilino-2,3-dihydrothiopyran-4-one.
What is the SMILES notation for 5-anilino-2,3-dihydrothiopyran-4-one?
The canonical SMILES for 5-anilino-2,3-dihydrothiopyran-4-one is O=C1CCSC=C1Nc1ccccc1.
What is the InChIKey of 5-anilino-2,3-dihydrothiopyran-4-one?
The InChIKey is FZQDBCUJHGZWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c13-11-6-7-14-8-10(11)12-9-4-2-1-3-5-9/h1-5,8,12H,6-7H2.
What are the key properties of 5-anilino-2,3-dihydrothiopyran-4-one?
5-anilino-2,3-dihydrothiopyran-4-one has a molecular weight of 205.28 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-2,3-dihydrothiopyran-4-one is sourced from PubChem (CID 134864394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).