(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-phenoxyfuran-2-yl)methanone

C16H17NO5S — CID 166216191

IUPAC(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-phenoxyfuran-2-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Oc3ccccc3)o2)CCS1(=O)=O
InChIInChI=1S/C16H17NO5S/c1-12-11-17(9-10-23(12,19)20)16(18)14-7-8-15(22-14)21-13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3
InChIKeyZFCWHIMRPLWMGI-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.33
Rot. Bonds3

About (2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-phenoxyfuran-2-yl)methanone

(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-phenoxyfuran-2-yl)methanone (PubChem CID 166216191) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is (2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-phenoxyfuran-2-yl)methanone.

Molecular Properties

Compound Name(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-phenoxyfuran-2-yl)methanone
PubChem CID166216191
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-phenoxyfuran-2-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Oc3ccccc3)o2)CCS1(=O)=O
InChIInChI=1S/C16H17NO5S/c1-12-11-17(9-10-23(12,19)20)16(18)14-7-8-15(22-14)21-13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3
InChIKeyZFCWHIMRPLWMGI-UHFFFAOYSA-N
XLogP2.33
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone
CID 56891178
[4-(methylamino)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride
CID 119561915
[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-(5-phenoxyfuran-2-yl)methanone
CID 95885617
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride
CID 120657669
(2R)-1-(5-phenoxyfuran-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370875
[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-(5-phenoxyfuran-2-yl)methanone
CID 135098413
1,4-diazepan-1-yl-(5-phenoxyfuran-2-yl)methanone
CID 119416420
benzyl 1-(5-phenoxyfuran-2-carbonyl)azetidine-3-carboxylate
CID 75450126
(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5-phenoxyfuran-2-yl)methanone
CID 56752988
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(3-fluorophenoxy)furan-2-yl]methanone
CID 97458702
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone
CID 119650375
3-methyl-7-(5-phenoxyfuran-2-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56893691

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-phenoxyfuran-2-yl)methanone?
The IUPAC name of (2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-phenoxyfuran-2-yl)methanone (CID 166216191) is (2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-phenoxyfuran-2-yl)methanone.
What is the SMILES notation for (2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-phenoxyfuran-2-yl)methanone?
The canonical SMILES for (2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-phenoxyfuran-2-yl)methanone is CC1CN(C(=O)c2ccc(Oc3ccccc3)o2)CCS1(=O)=O.
What is the InChIKey of (2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-phenoxyfuran-2-yl)methanone?
The InChIKey is ZFCWHIMRPLWMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-12-11-17(9-10-23(12,19)20)16(18)14-7-8-15(22-14)21-13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3.
What are the key properties of (2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-phenoxyfuran-2-yl)methanone?
(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-phenoxyfuran-2-yl)methanone has a molecular weight of 335.38 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-phenoxyfuran-2-yl)methanone is sourced from PubChem (CID 166216191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).