1-(oxiran-2-ylmethyl)-10H-phenothiazine

C15H13NOS — CID 19424498

IUPAC1-(oxiran-2-ylmethyl)-10H-phenothiazine
SMILESc1ccc2c(c1)Nc1c(CC3CO3)cccc1S2
InChIInChI=1S/C15H13NOS/c1-2-6-13-12(5-1)16-15-10(8-11-9-17-11)4-3-7-14(15)18-13/h1-7,11,16H,8-9H2
InChIKeyVOAQNZPCSCDZMY-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.84
Rot. Bonds2

About 1-(oxiran-2-ylmethyl)-10H-phenothiazine

1-(oxiran-2-ylmethyl)-10H-phenothiazine (PubChem CID 19424498) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-(oxiran-2-ylmethyl)-10H-phenothiazine.

Molecular Properties

Compound Name1-(oxiran-2-ylmethyl)-10H-phenothiazine
PubChem CID19424498
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name1-(oxiran-2-ylmethyl)-10H-phenothiazine
SMILESc1ccc2c(c1)Nc1c(CC3CO3)cccc1S2
InChIInChI=1S/C15H13NOS/c1-2-6-13-12(5-1)16-15-10(8-11-9-17-11)4-3-7-14(15)18-13/h1-7,11,16H,8-9H2
InChIKeyVOAQNZPCSCDZMY-UHFFFAOYSA-N
XLogP3.84
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(oxiran-2-ylmethyl)-10H-phenothiazine?
The IUPAC name of 1-(oxiran-2-ylmethyl)-10H-phenothiazine (CID 19424498) is 1-(oxiran-2-ylmethyl)-10H-phenothiazine.
What is the SMILES notation for 1-(oxiran-2-ylmethyl)-10H-phenothiazine?
The canonical SMILES for 1-(oxiran-2-ylmethyl)-10H-phenothiazine is c1ccc2c(c1)Nc1c(CC3CO3)cccc1S2.
What is the InChIKey of 1-(oxiran-2-ylmethyl)-10H-phenothiazine?
The InChIKey is VOAQNZPCSCDZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c1-2-6-13-12(5-1)16-15-10(8-11-9-17-11)4-3-7-14(15)18-13/h1-7,11,16H,8-9H2.
What are the key properties of 1-(oxiran-2-ylmethyl)-10H-phenothiazine?
1-(oxiran-2-ylmethyl)-10H-phenothiazine has a molecular weight of 255.34 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-ylmethyl)-10H-phenothiazine is sourced from PubChem (CID 19424498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).