10-(3-methylbutan-2-yl)phenothiazine

C17H19NS — CID 153119553

IUPAC10-(3-methylbutan-2-yl)phenothiazine
SMILESCC(C)C(C)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H19NS/c1-12(2)13(3)18-14-8-4-6-10-16(14)19-17-11-7-5-9-15(17)18/h4-13H,1-3H3
InChIKeyVUOQBCMUANLPBA-UHFFFAOYSA-N
MW269.41 g/mol
LogP5.33
Rot. Bonds2

About 10-(3-methylbutan-2-yl)phenothiazine

10-(3-methylbutan-2-yl)phenothiazine (PubChem CID 153119553) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is 10-(3-methylbutan-2-yl)phenothiazine.

Molecular Properties

Compound Name10-(3-methylbutan-2-yl)phenothiazine
PubChem CID153119553
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC Name10-(3-methylbutan-2-yl)phenothiazine
SMILESCC(C)C(C)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H19NS/c1-12(2)13(3)18-14-8-4-6-10-16(14)19-17-11-7-5-9-15(17)18/h4-13H,1-3H3
InChIKeyVUOQBCMUANLPBA-UHFFFAOYSA-N
XLogP5.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.41
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-(3-methylbutan-2-yl)phenothiazine?
The IUPAC name of 10-(3-methylbutan-2-yl)phenothiazine (CID 153119553) is 10-(3-methylbutan-2-yl)phenothiazine.
What is the SMILES notation for 10-(3-methylbutan-2-yl)phenothiazine?
The canonical SMILES for 10-(3-methylbutan-2-yl)phenothiazine is CC(C)C(C)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 10-(3-methylbutan-2-yl)phenothiazine?
The InChIKey is VUOQBCMUANLPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS/c1-12(2)13(3)18-14-8-4-6-10-16(14)19-17-11-7-5-9-15(17)18/h4-13H,1-3H3.
What are the key properties of 10-(3-methylbutan-2-yl)phenothiazine?
10-(3-methylbutan-2-yl)phenothiazine has a molecular weight of 269.41 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-methylbutan-2-yl)phenothiazine is sourced from PubChem (CID 153119553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).