(5R,6S)-5,6-diphenyl-2-sulfanylidene-1,3-thiazinan-4-one

C16H13NOS2 — CID 94189298

IUPAC(5R,6S)-5,6-diphenyl-2-sulfanylidene-1,3-thiazinan-4-one
SMILESO=C1NC(=S)S[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C16H13NOS2/c18-15-13(11-7-3-1-4-8-11)14(20-16(19)17-15)12-9-5-2-6-10-12/h1-10,13-14H,(H,17,18,19)/t13-,14+/m0/s1
InChIKeyRXTMYPBZUAZHEV-UONOGXRCSA-N
MW299.42 g/mol
LogP3.66
Rot. Bonds2

About (5R,6S)-5,6-diphenyl-2-sulfanylidene-1,3-thiazinan-4-one

(5R,6S)-5,6-diphenyl-2-sulfanylidene-1,3-thiazinan-4-one (PubChem CID 94189298) has the molecular formula C16H13NOS2 and a molecular weight of 299.42 g/mol. Its IUPAC name is (5R,6S)-5,6-diphenyl-2-sulfanylidene-1,3-thiazinan-4-one.

Molecular Properties

Compound Name(5R,6S)-5,6-diphenyl-2-sulfanylidene-1,3-thiazinan-4-one
PubChem CID94189298
Molecular FormulaC16H13NOS2
Molecular Weight299.42 g/mol
Exact Mass299.04
IUPAC Name(5R,6S)-5,6-diphenyl-2-sulfanylidene-1,3-thiazinan-4-one
SMILESO=C1NC(=S)S[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C16H13NOS2/c18-15-13(11-7-3-1-4-8-11)14(20-16(19)17-15)12-9-5-2-6-10-12/h1-10,13-14H,(H,17,18,19)/t13-,14+/m0/s1
InChIKeyRXTMYPBZUAZHEV-UONOGXRCSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 805159
(3R,4S)-3-bromo-4-phenylpyrrolidine-2,5-dione
CID 99563949
(3R,4R)-3-chloro-4-phenylpyrrolidine-2,5-dione
CID 98010170
(3R,4S)-3-methyl-4-phenylpyrrolidine-2,5-dione
CID 917022
5-phenyldiazenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3826649
(5R,6S)-1,5,6-triphenyl-2-sulfanylidene-1,3-diazinan-4-one
CID 40634429
3-phenyl-4-phenylsulfanylpyrrolidine-2,5-dione
CID 14796237
(3R,6S)-3,6-diphenylpiperazine-2,5-dione
CID 11323083
(2R,3R)-3-hydroxy-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 13327107
3-hydroxy-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 3242458
2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 25220247
1,5,6-triphenyl-1,3-diazinane-2,4-dione
CID 602445

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5,6-diphenyl-2-sulfanylidene-1,3-thiazinan-4-one?
The IUPAC name of (5R,6S)-5,6-diphenyl-2-sulfanylidene-1,3-thiazinan-4-one (CID 94189298) is (5R,6S)-5,6-diphenyl-2-sulfanylidene-1,3-thiazinan-4-one.
What is the SMILES notation for (5R,6S)-5,6-diphenyl-2-sulfanylidene-1,3-thiazinan-4-one?
The canonical SMILES for (5R,6S)-5,6-diphenyl-2-sulfanylidene-1,3-thiazinan-4-one is O=C1NC(=S)S[C@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (5R,6S)-5,6-diphenyl-2-sulfanylidene-1,3-thiazinan-4-one?
The InChIKey is RXTMYPBZUAZHEV-UONOGXRCSA-N. The full InChI is InChI=1S/C16H13NOS2/c18-15-13(11-7-3-1-4-8-11)14(20-16(19)17-15)12-9-5-2-6-10-12/h1-10,13-14H,(H,17,18,19)/t13-,14+/m0/s1.
What are the key properties of (5R,6S)-5,6-diphenyl-2-sulfanylidene-1,3-thiazinan-4-one?
(5R,6S)-5,6-diphenyl-2-sulfanylidene-1,3-thiazinan-4-one has a molecular weight of 299.42 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5,6-diphenyl-2-sulfanylidene-1,3-thiazinan-4-one is sourced from PubChem (CID 94189298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).