10-[(2R)-1-(methylamino)propan-2-yl]phenothiazine-2-carbonitrile

C17H17N3S — CID 67922685

IUPAC10-[(2R)-1-(methylamino)propan-2-yl]phenothiazine-2-carbonitrile
SMILESCNC[C@@H](C)N1c2ccccc2Sc2ccc(C#N)cc21
InChIInChI=1S/C17H17N3S/c1-12(11-19-2)20-14-5-3-4-6-16(14)21-17-8-7-13(10-18)9-15(17)20/h3-9,12,19H,11H2,1-2H3/t12-/m1/s1
InChIKeyISLPHQKMRQUJSR-GFCCVEGCSA-N
MW295.41 g/mol
LogP3.77
Rot. Bonds3

About 10-[(2R)-1-(methylamino)propan-2-yl]phenothiazine-2-carbonitrile

10-[(2R)-1-(methylamino)propan-2-yl]phenothiazine-2-carbonitrile (PubChem CID 67922685) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 10-[(2R)-1-(methylamino)propan-2-yl]phenothiazine-2-carbonitrile.

Molecular Properties

Compound Name10-[(2R)-1-(methylamino)propan-2-yl]phenothiazine-2-carbonitrile
PubChem CID67922685
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name10-[(2R)-1-(methylamino)propan-2-yl]phenothiazine-2-carbonitrile
SMILESCNC[C@@H](C)N1c2ccccc2Sc2ccc(C#N)cc21
InChIInChI=1S/C17H17N3S/c1-12(11-19-2)20-14-5-3-4-6-16(14)21-17-8-7-13(10-18)9-15(17)20/h3-9,12,19H,11H2,1-2H3/t12-/m1/s1
InChIKeyISLPHQKMRQUJSR-GFCCVEGCSA-N
XLogP3.77
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

10-[1-(ethylamino)propan-2-yl]phenothiazine-2-carbonitrile
CID 14536548
10-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenothiazine-2-carbonitrile
CID 67922717
10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile;hydrochloride
CID 19020543
10-[1-(ethylamino)propyl]phenothiazine-2-carbonitrile
CID 19020533
methanesulfonate;10-propan-2-ylphenothiazine-2-carbonitrile
CID 19822648
3-[2-(2-cyanophenothiazin-10-yl)propyl]phthalic acid
CID 70356765
7-chloro-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbonitrile
CID 15925366
10-(3-methylbutan-2-yl)phenothiazine
CID 153119553
2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;hydrochloride
CID 134096593
2-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine
CID 4082930
7-(2-cyanophenothiazin-10-yl)-10-[3-(dimethylamino)-2-methylpropyl]phenothiazine-2-carbonitrile
CID 76901139
10-(1-hydroxypropan-2-yl)phenothiazine-2-carbothioamide
CID 15096230

Frequently Asked Questions

What is the IUPAC name of 10-[(2R)-1-(methylamino)propan-2-yl]phenothiazine-2-carbonitrile?
The IUPAC name of 10-[(2R)-1-(methylamino)propan-2-yl]phenothiazine-2-carbonitrile (CID 67922685) is 10-[(2R)-1-(methylamino)propan-2-yl]phenothiazine-2-carbonitrile.
What is the SMILES notation for 10-[(2R)-1-(methylamino)propan-2-yl]phenothiazine-2-carbonitrile?
The canonical SMILES for 10-[(2R)-1-(methylamino)propan-2-yl]phenothiazine-2-carbonitrile is CNC[C@@H](C)N1c2ccccc2Sc2ccc(C#N)cc21.
What is the InChIKey of 10-[(2R)-1-(methylamino)propan-2-yl]phenothiazine-2-carbonitrile?
The InChIKey is ISLPHQKMRQUJSR-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17N3S/c1-12(11-19-2)20-14-5-3-4-6-16(14)21-17-8-7-13(10-18)9-15(17)20/h3-9,12,19H,11H2,1-2H3/t12-/m1/s1.
What are the key properties of 10-[(2R)-1-(methylamino)propan-2-yl]phenothiazine-2-carbonitrile?
10-[(2R)-1-(methylamino)propan-2-yl]phenothiazine-2-carbonitrile has a molecular weight of 295.41 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2R)-1-(methylamino)propan-2-yl]phenothiazine-2-carbonitrile is sourced from PubChem (CID 67922685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).