azane;10-(3-methylbutyl)phenothiazin-1-ol

C17H22N2OS — CID 154975331

IUPACazane;10-(3-methylbutyl)phenothiazin-1-ol
SMILESCC(C)CCN1c2ccccc2Sc2cccc(O)c21.N
InChIInChI=1S/C17H19NOS.H3N/c1-12(2)10-11-18-13-6-3-4-8-15(13)20-16-9-5-7-14(19)17(16)18;/h3-9,12,19H,10-11H2,1-2H3;1H3
InChIKeyVFBIZWXHDNTZTE-UHFFFAOYSA-N
MW302.44 g/mol
LogP5.20
Rot. Bonds3

About azane;10-(3-methylbutyl)phenothiazin-1-ol

azane;10-(3-methylbutyl)phenothiazin-1-ol (PubChem CID 154975331) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is azane;10-(3-methylbutyl)phenothiazin-1-ol.

Molecular Properties

Compound Nameazane;10-(3-methylbutyl)phenothiazin-1-ol
PubChem CID154975331
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Nameazane;10-(3-methylbutyl)phenothiazin-1-ol
SMILESCC(C)CCN1c2ccccc2Sc2cccc(O)c21.N
InChIInChI=1S/C17H19NOS.H3N/c1-12(2)10-11-18-13-6-3-4-8-15(13)20-16-9-5-7-14(19)17(16)18;/h3-9,12,19H,10-11H2,1-2H3;1H3
InChIKeyVFBIZWXHDNTZTE-UHFFFAOYSA-N
XLogP5.20
TPSA58.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.44
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;10-(3-methylbutyl)phenothiazin-1-ol?
The IUPAC name of azane;10-(3-methylbutyl)phenothiazin-1-ol (CID 154975331) is azane;10-(3-methylbutyl)phenothiazin-1-ol.
What is the SMILES notation for azane;10-(3-methylbutyl)phenothiazin-1-ol?
The canonical SMILES for azane;10-(3-methylbutyl)phenothiazin-1-ol is CC(C)CCN1c2ccccc2Sc2cccc(O)c21.N.
What is the InChIKey of azane;10-(3-methylbutyl)phenothiazin-1-ol?
The InChIKey is VFBIZWXHDNTZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS.H3N/c1-12(2)10-11-18-13-6-3-4-8-15(13)20-16-9-5-7-14(19)17(16)18;/h3-9,12,19H,10-11H2,1-2H3;1H3.
What are the key properties of azane;10-(3-methylbutyl)phenothiazin-1-ol?
azane;10-(3-methylbutyl)phenothiazin-1-ol has a molecular weight of 302.44 g/mol, XLogP of 5.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;10-(3-methylbutyl)phenothiazin-1-ol is sourced from PubChem (CID 154975331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).