(6S)-3,6-diphenyl-2-propylimino-1,3-thiazinan-4-one

C19H20N2OS — CID 139193770

IUPAC(6S)-3,6-diphenyl-2-propylimino-1,3-thiazinan-4-one
SMILESCCC/N=C1\S[C@H](c2ccccc2)CC(=O)N1c1ccccc1
InChIInChI=1S/C19H20N2OS/c1-2-13-20-19-21(16-11-7-4-8-12-16)18(22)14-17(23-19)15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3/b20-19-/t17-/m0/s1
InChIKeyVXUJDWCBLMVVDB-SKQREZPOSA-N
MW324.45 g/mol
LogP4.66
Rot. Bonds4

About (6S)-3,6-diphenyl-2-propylimino-1,3-thiazinan-4-one

(6S)-3,6-diphenyl-2-propylimino-1,3-thiazinan-4-one (PubChem CID 139193770) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is (6S)-3,6-diphenyl-2-propylimino-1,3-thiazinan-4-one.

Molecular Properties

Compound Name(6S)-3,6-diphenyl-2-propylimino-1,3-thiazinan-4-one
PubChem CID139193770
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name(6S)-3,6-diphenyl-2-propylimino-1,3-thiazinan-4-one
SMILESCCC/N=C1\S[C@H](c2ccccc2)CC(=O)N1c1ccccc1
InChIInChI=1S/C19H20N2OS/c1-2-13-20-19-21(16-11-7-4-8-12-16)18(22)14-17(23-19)15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3/b20-19-/t17-/m0/s1
InChIKeyVXUJDWCBLMVVDB-SKQREZPOSA-N
XLogP4.66
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-3,6-diphenyl-2-propylimino-1,3-thiazinan-4-one?
The IUPAC name of (6S)-3,6-diphenyl-2-propylimino-1,3-thiazinan-4-one (CID 139193770) is (6S)-3,6-diphenyl-2-propylimino-1,3-thiazinan-4-one.
What is the SMILES notation for (6S)-3,6-diphenyl-2-propylimino-1,3-thiazinan-4-one?
The canonical SMILES for (6S)-3,6-diphenyl-2-propylimino-1,3-thiazinan-4-one is CCC/N=C1\S[C@H](c2ccccc2)CC(=O)N1c1ccccc1.
What is the InChIKey of (6S)-3,6-diphenyl-2-propylimino-1,3-thiazinan-4-one?
The InChIKey is VXUJDWCBLMVVDB-SKQREZPOSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-2-13-20-19-21(16-11-7-4-8-12-16)18(22)14-17(23-19)15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3/b20-19-/t17-/m0/s1.
What are the key properties of (6S)-3,6-diphenyl-2-propylimino-1,3-thiazinan-4-one?
(6S)-3,6-diphenyl-2-propylimino-1,3-thiazinan-4-one has a molecular weight of 324.45 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3,6-diphenyl-2-propylimino-1,3-thiazinan-4-one is sourced from PubChem (CID 139193770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).