3-ethenyl-10-propylphenothiazine 5-oxide

C17H17NOS — CID 170013703

IUPAC3-ethenyl-10-propylphenothiazine 5-oxide
SMILESC=Cc1ccc2c(c1)S(=O)c1ccccc1N2CCC
InChIInChI=1S/C17H17NOS/c1-3-11-18-14-7-5-6-8-16(14)20(19)17-12-13(4-2)9-10-15(17)18/h4-10,12H,2-3,11H2,1H3
InChIKeyJGYRKTLLSRSYJW-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.36
Rot. Bonds3

About 3-ethenyl-10-propylphenothiazine 5-oxide

3-ethenyl-10-propylphenothiazine 5-oxide (PubChem CID 170013703) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-ethenyl-10-propylphenothiazine 5-oxide.

Molecular Properties

Compound Name3-ethenyl-10-propylphenothiazine 5-oxide
PubChem CID170013703
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name3-ethenyl-10-propylphenothiazine 5-oxide
SMILESC=Cc1ccc2c(c1)S(=O)c1ccccc1N2CCC
InChIInChI=1S/C17H17NOS/c1-3-11-18-14-7-5-6-8-16(14)20(19)17-12-13(4-2)9-10-15(17)18/h4-10,12H,2-3,11H2,1H3
InChIKeyJGYRKTLLSRSYJW-UHFFFAOYSA-N
XLogP4.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-10-propylphenothiazine 5-oxide?
The IUPAC name of 3-ethenyl-10-propylphenothiazine 5-oxide (CID 170013703) is 3-ethenyl-10-propylphenothiazine 5-oxide.
What is the SMILES notation for 3-ethenyl-10-propylphenothiazine 5-oxide?
The canonical SMILES for 3-ethenyl-10-propylphenothiazine 5-oxide is C=Cc1ccc2c(c1)S(=O)c1ccccc1N2CCC.
What is the InChIKey of 3-ethenyl-10-propylphenothiazine 5-oxide?
The InChIKey is JGYRKTLLSRSYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-3-11-18-14-7-5-6-8-16(14)20(19)17-12-13(4-2)9-10-15(17)18/h4-10,12H,2-3,11H2,1H3.
What are the key properties of 3-ethenyl-10-propylphenothiazine 5-oxide?
3-ethenyl-10-propylphenothiazine 5-oxide has a molecular weight of 283.40 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-10-propylphenothiazine 5-oxide is sourced from PubChem (CID 170013703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).