4-methyl-2-(10H-phenothiazin-2-yl)morpholin-2-ol

C17H18N2O2S — CID 85469583

IUPAC4-methyl-2-(10H-phenothiazin-2-yl)morpholin-2-ol
SMILESCN1CCOC(O)(c2ccc3c(c2)Nc2ccccc2S3)C1
InChIInChI=1S/C17H18N2O2S/c1-19-8-9-21-17(20,11-19)12-6-7-16-14(10-12)18-13-4-2-3-5-15(13)22-16/h2-7,10,18,20H,8-9,11H2,1H3
InChIKeyJKLHPLZNXDHQNO-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.00
Rot. Bonds1

About 4-methyl-2-(10H-phenothiazin-2-yl)morpholin-2-ol

4-methyl-2-(10H-phenothiazin-2-yl)morpholin-2-ol (PubChem CID 85469583) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-methyl-2-(10H-phenothiazin-2-yl)morpholin-2-ol.

Molecular Properties

Compound Name4-methyl-2-(10H-phenothiazin-2-yl)morpholin-2-ol
PubChem CID85469583
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name4-methyl-2-(10H-phenothiazin-2-yl)morpholin-2-ol
SMILESCN1CCOC(O)(c2ccc3c(c2)Nc2ccccc2S3)C1
InChIInChI=1S/C17H18N2O2S/c1-19-8-9-21-17(20,11-19)12-6-7-16-14(10-12)18-13-4-2-3-5-15(13)22-16/h2-7,10,18,20H,8-9,11H2,1H3
InChIKeyJKLHPLZNXDHQNO-UHFFFAOYSA-N
XLogP3.00
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(10H-phenothiazin-2-yl)morpholin-2-ol?
The IUPAC name of 4-methyl-2-(10H-phenothiazin-2-yl)morpholin-2-ol (CID 85469583) is 4-methyl-2-(10H-phenothiazin-2-yl)morpholin-2-ol.
What is the SMILES notation for 4-methyl-2-(10H-phenothiazin-2-yl)morpholin-2-ol?
The canonical SMILES for 4-methyl-2-(10H-phenothiazin-2-yl)morpholin-2-ol is CN1CCOC(O)(c2ccc3c(c2)Nc2ccccc2S3)C1.
What is the InChIKey of 4-methyl-2-(10H-phenothiazin-2-yl)morpholin-2-ol?
The InChIKey is JKLHPLZNXDHQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-19-8-9-21-17(20,11-19)12-6-7-16-14(10-12)18-13-4-2-3-5-15(13)22-16/h2-7,10,18,20H,8-9,11H2,1H3.
What are the key properties of 4-methyl-2-(10H-phenothiazin-2-yl)morpholin-2-ol?
4-methyl-2-(10H-phenothiazin-2-yl)morpholin-2-ol has a molecular weight of 314.41 g/mol, XLogP of 3.00, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(10H-phenothiazin-2-yl)morpholin-2-ol is sourced from PubChem (CID 85469583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).