(2S)-N,N-dimethyl-2-phenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine

C19H20N2S — CID 12841896

IUPAC(2S)-N,N-dimethyl-2-phenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine
SMILESCN(C)C1=C/C(=N\c2ccccc2)S[C@H](c2ccccc2)C1
InChIInChI=1S/C19H20N2S/c1-21(2)17-13-18(15-9-5-3-6-10-15)22-19(14-17)20-16-11-7-4-8-12-16/h3-12,14,18H,13H2,1-2H3/b20-19+/t18-/m0/s1
InChIKeyHXVFMAYTKGGVQZ-NQKFGRBQSA-N
MW308.45 g/mol
LogP5.04
Rot. Bonds3

About (2S)-N,N-dimethyl-2-phenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine

(2S)-N,N-dimethyl-2-phenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine (PubChem CID 12841896) has the molecular formula C19H20N2S and a molecular weight of 308.45 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-phenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-phenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine
PubChem CID12841896
Molecular FormulaC19H20N2S
Molecular Weight308.45 g/mol
Exact Mass308.13
IUPAC Name(2S)-N,N-dimethyl-2-phenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine
SMILESCN(C)C1=C/C(=N\c2ccccc2)S[C@H](c2ccccc2)C1
InChIInChI=1S/C19H20N2S/c1-21(2)17-13-18(15-9-5-3-6-10-15)22-19(14-17)20-16-11-7-4-8-12-16/h3-12,14,18H,13H2,1-2H3/b20-19+/t18-/m0/s1
InChIKeyHXVFMAYTKGGVQZ-NQKFGRBQSA-N
XLogP5.04
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.45
LogP ≤ 55.04
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 (2S)-N,N-dimethyl-2-phenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine?
The IUPAC name of (2S)-N,N-dimethyl-2-phenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine (CID 12841896) is (2S)-N,N-dimethyl-2-phenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine.
What is the SMILES notation for (2S)-N,N-dimethyl-2-phenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine?
The canonical SMILES for (2S)-N,N-dimethyl-2-phenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine is CN(C)C1=C/C(=N\c2ccccc2)S[C@H](c2ccccc2)C1.
What is the InChIKey of (2S)-N,N-dimethyl-2-phenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine?
The InChIKey is HXVFMAYTKGGVQZ-NQKFGRBQSA-N. The full InChI is InChI=1S/C19H20N2S/c1-21(2)17-13-18(15-9-5-3-6-10-15)22-19(14-17)20-16-11-7-4-8-12-16/h3-12,14,18H,13H2,1-2H3/b20-19+/t18-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-2-phenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine?
(2S)-N,N-dimethyl-2-phenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine has a molecular weight of 308.45 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-phenyl-6-phenylimino-2,3-dihydrothiopyran-4-amine is sourced from PubChem (CID 12841896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).