2-(10-methyl-5a,9a-dihydrophenothiazin-2-yl)propanenitrile

C16H16N2S — CID 10468259

IUPAC2-(10-methyl-5a,9a-dihydrophenothiazin-2-yl)propanenitrile
SMILESCC(C#N)c1ccc2c(c1)N(C)C1C=CC=CC1S2
InChIInChI=1S/C16H16N2S/c1-11(10-17)12-7-8-16-14(9-12)18(2)13-5-3-4-6-15(13)19-16/h3-9,11,13,15H,1-2H3
InChIKeyQDJIVAVAXDJHIK-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.72
Rot. Bonds1

About 2-(10-methyl-5a,9a-dihydrophenothiazin-2-yl)propanenitrile

2-(10-methyl-5a,9a-dihydrophenothiazin-2-yl)propanenitrile (PubChem CID 10468259) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(10-methyl-5a,9a-dihydrophenothiazin-2-yl)propanenitrile.

Molecular Properties

Compound Name2-(10-methyl-5a,9a-dihydrophenothiazin-2-yl)propanenitrile
PubChem CID10468259
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name2-(10-methyl-5a,9a-dihydrophenothiazin-2-yl)propanenitrile
SMILESCC(C#N)c1ccc2c(c1)N(C)C1C=CC=CC1S2
InChIInChI=1S/C16H16N2S/c1-11(10-17)12-7-8-16-14(9-12)18(2)13-5-3-4-6-15(13)19-16/h3-9,11,13,15H,1-2H3
InChIKeyQDJIVAVAXDJHIK-UHFFFAOYSA-N
XLogP3.72
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(10-methyl-5a,9a-dihydrophenothiazin-2-yl)propanenitrile?
The IUPAC name of 2-(10-methyl-5a,9a-dihydrophenothiazin-2-yl)propanenitrile (CID 10468259) is 2-(10-methyl-5a,9a-dihydrophenothiazin-2-yl)propanenitrile.
What is the SMILES notation for 2-(10-methyl-5a,9a-dihydrophenothiazin-2-yl)propanenitrile?
The canonical SMILES for 2-(10-methyl-5a,9a-dihydrophenothiazin-2-yl)propanenitrile is CC(C#N)c1ccc2c(c1)N(C)C1C=CC=CC1S2.
What is the InChIKey of 2-(10-methyl-5a,9a-dihydrophenothiazin-2-yl)propanenitrile?
The InChIKey is QDJIVAVAXDJHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-11(10-17)12-7-8-16-14(9-12)18(2)13-5-3-4-6-15(13)19-16/h3-9,11,13,15H,1-2H3.
What are the key properties of 2-(10-methyl-5a,9a-dihydrophenothiazin-2-yl)propanenitrile?
2-(10-methyl-5a,9a-dihydrophenothiazin-2-yl)propanenitrile has a molecular weight of 268.38 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-methyl-5a,9a-dihydrophenothiazin-2-yl)propanenitrile is sourced from PubChem (CID 10468259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).