[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-phenothiazin-10-ylmethanone

C25H24N2O4S2 — CID 2354934

IUPAC[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-phenothiazin-10-ylmethanone
SMILESC[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3c4ccccc4Sc4ccccc43)c2)C[C@H](C)O1
InChIInChI=1S/C25H24N2O4S2/c1-17-15-26(16-18(2)31-17)33(29,30)20-9-7-8-19(14-20)25(28)27-21-10-3-5-12-23(21)32-24-13-6-4-11-22(24)27/h3-14,17-18H,15-16H2,1-2H3/t17-,18-/m0/s1
InChIKeyZFOUSMQXJLHWJM-ROUUACIJSA-N
MW480.61 g/mol
LogP4.93
Rot. Bonds3

About [3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-phenothiazin-10-ylmethanone

[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-phenothiazin-10-ylmethanone (PubChem CID 2354934) has the molecular formula C25H24N2O4S2 and a molecular weight of 480.61 g/mol. Its IUPAC name is [3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-phenothiazin-10-ylmethanone.

Molecular Properties

Compound Name[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-phenothiazin-10-ylmethanone
PubChem CID2354934
Molecular FormulaC25H24N2O4S2
Molecular Weight480.61 g/mol
Exact Mass480.12
IUPAC Name[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-phenothiazin-10-ylmethanone
SMILESC[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3c4ccccc4Sc4ccccc43)c2)C[C@H](C)O1
InChIInChI=1S/C25H24N2O4S2/c1-17-15-26(16-18(2)31-17)33(29,30)20-9-7-8-19(14-20)25(28)27-21-10-3-5-12-23(21)32-24-13-6-4-11-22(24)27/h3-14,17-18H,15-16H2,1-2H3/t17-,18-/m0/s1
InChIKeyZFOUSMQXJLHWJM-ROUUACIJSA-N
XLogP4.93
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-phenothiazin-10-ylmethanone?
The IUPAC name of [3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-phenothiazin-10-ylmethanone (CID 2354934) is [3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-phenothiazin-10-ylmethanone.
What is the SMILES notation for [3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-phenothiazin-10-ylmethanone?
The canonical SMILES for [3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-phenothiazin-10-ylmethanone is C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3c4ccccc4Sc4ccccc43)c2)C[C@H](C)O1.
What is the InChIKey of [3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-phenothiazin-10-ylmethanone?
The InChIKey is ZFOUSMQXJLHWJM-ROUUACIJSA-N. The full InChI is InChI=1S/C25H24N2O4S2/c1-17-15-26(16-18(2)31-17)33(29,30)20-9-7-8-19(14-20)25(28)27-21-10-3-5-12-23(21)32-24-13-6-4-11-22(24)27/h3-14,17-18H,15-16H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of [3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-phenothiazin-10-ylmethanone?
[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-phenothiazin-10-ylmethanone has a molecular weight of 480.61 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-phenothiazin-10-ylmethanone is sourced from PubChem (CID 2354934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).