(5-methylthiophen-2-yl)-[(1R,3S)-1-oxo-3-phenyl-1,4-thiazinan-4-yl]methanone

C16H17NO2S2 — CID 97071476

IUPAC(5-methylthiophen-2-yl)-[(1R,3S)-1-oxo-3-phenyl-1,4-thiazinan-4-yl]methanone
SMILESCc1ccc(C(=O)N2CC[S@@](=O)C[C@@H]2c2ccccc2)s1
InChIInChI=1S/C16H17NO2S2/c1-12-7-8-15(20-12)16(18)17-9-10-21(19)11-14(17)13-5-3-2-4-6-13/h2-8,14H,9-11H2,1H3/t14-,21-/m1/s1
InChIKeyLBGXKWIFJHPVGU-SPLOXXLWSA-N
MW319.45 g/mol
LogP3.00
Rot. Bonds2

About (5-methylthiophen-2-yl)-[(1R,3S)-1-oxo-3-phenyl-1,4-thiazinan-4-yl]methanone

(5-methylthiophen-2-yl)-[(1R,3S)-1-oxo-3-phenyl-1,4-thiazinan-4-yl]methanone (PubChem CID 97071476) has the molecular formula C16H17NO2S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)-[(1R,3S)-1-oxo-3-phenyl-1,4-thiazinan-4-yl]methanone.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)-[(1R,3S)-1-oxo-3-phenyl-1,4-thiazinan-4-yl]methanone
PubChem CID97071476
Molecular FormulaC16H17NO2S2
Molecular Weight319.45 g/mol
Exact Mass319.07
IUPAC Name(5-methylthiophen-2-yl)-[(1R,3S)-1-oxo-3-phenyl-1,4-thiazinan-4-yl]methanone
SMILESCc1ccc(C(=O)N2CC[S@@](=O)C[C@@H]2c2ccccc2)s1
InChIInChI=1S/C16H17NO2S2/c1-12-7-8-15(20-12)16(18)17-9-10-21(19)11-14(17)13-5-3-2-4-6-13/h2-8,14H,9-11H2,1H3/t14-,21-/m1/s1
InChIKeyLBGXKWIFJHPVGU-SPLOXXLWSA-N
XLogP3.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-methylthiophen-2-yl)-[(1R,3S)-1-oxo-3-phenyl-1,4-thiazinan-4-yl]methanone with MolForge

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Related Compounds

1-(5-methylthiophene-2-carbonyl)azetidine-2-carboxylic acid
CID 130645542
(2-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 18711915
3-(4-fluorophenyl)-1-[(1S,3S)-1-oxo-3-phenyl-1,4-thiazinan-4-yl]propan-1-one
CID 97214751
1-(1-oxo-3-phenyl-1,4-thiazinan-4-yl)propan-2-ylcarbamic acid
CID 137366935
(4R)-1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 129395089
[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 53017150
[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 110113693
2,2,2-trifluoroacetic acid;2,2,2-trifluoro-1-[5-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]thiophen-2-yl]ethanone
CID 171928264
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(5-methylthiophen-2-yl)methanone
CID 16623282
tert-butyl (2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 81004290
(5-methylthiophen-2-yl)-[(3R,4R)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 124727923

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)-[(1R,3S)-1-oxo-3-phenyl-1,4-thiazinan-4-yl]methanone?
The IUPAC name of (5-methylthiophen-2-yl)-[(1R,3S)-1-oxo-3-phenyl-1,4-thiazinan-4-yl]methanone (CID 97071476) is (5-methylthiophen-2-yl)-[(1R,3S)-1-oxo-3-phenyl-1,4-thiazinan-4-yl]methanone.
What is the SMILES notation for (5-methylthiophen-2-yl)-[(1R,3S)-1-oxo-3-phenyl-1,4-thiazinan-4-yl]methanone?
The canonical SMILES for (5-methylthiophen-2-yl)-[(1R,3S)-1-oxo-3-phenyl-1,4-thiazinan-4-yl]methanone is Cc1ccc(C(=O)N2CC[S@@](=O)C[C@@H]2c2ccccc2)s1.
What is the InChIKey of (5-methylthiophen-2-yl)-[(1R,3S)-1-oxo-3-phenyl-1,4-thiazinan-4-yl]methanone?
The InChIKey is LBGXKWIFJHPVGU-SPLOXXLWSA-N. The full InChI is InChI=1S/C16H17NO2S2/c1-12-7-8-15(20-12)16(18)17-9-10-21(19)11-14(17)13-5-3-2-4-6-13/h2-8,14H,9-11H2,1H3/t14-,21-/m1/s1.
What are the key properties of (5-methylthiophen-2-yl)-[(1R,3S)-1-oxo-3-phenyl-1,4-thiazinan-4-yl]methanone?
(5-methylthiophen-2-yl)-[(1R,3S)-1-oxo-3-phenyl-1,4-thiazinan-4-yl]methanone has a molecular weight of 319.45 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-2-yl)-[(1R,3S)-1-oxo-3-phenyl-1,4-thiazinan-4-yl]methanone is sourced from PubChem (CID 97071476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).