(5R)-10-[(2R)-3-(dimethylamino)-2-methylpropyl]-5-oxophenothiazine-2-carbonitrile

C19H21N3OS — CID 95162231

IUPAC(5R)-10-[(2R)-3-(dimethylamino)-2-methylpropyl]-5-oxophenothiazine-2-carbonitrile
SMILESC[C@H](CN(C)C)CN1c2ccccc2[S@@](=O)c2ccc(C#N)cc21
InChIInChI=1S/C19H21N3OS/c1-14(12-21(2)3)13-22-16-6-4-5-7-18(16)24(23)19-9-8-15(11-20)10-17(19)22/h4-10,14H,12-13H2,1-3H3/t14-,24-/m1/s1
InChIKeyKCPHNCFJFKSBMD-JBEBIEQOSA-N
MW339.46 g/mol
LogP3.37
Rot. Bonds4

About (5R)-10-[(2R)-3-(dimethylamino)-2-methylpropyl]-5-oxophenothiazine-2-carbonitrile

(5R)-10-[(2R)-3-(dimethylamino)-2-methylpropyl]-5-oxophenothiazine-2-carbonitrile (PubChem CID 95162231) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is (5R)-10-[(2R)-3-(dimethylamino)-2-methylpropyl]-5-oxophenothiazine-2-carbonitrile.

Molecular Properties

Compound Name(5R)-10-[(2R)-3-(dimethylamino)-2-methylpropyl]-5-oxophenothiazine-2-carbonitrile
PubChem CID95162231
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name(5R)-10-[(2R)-3-(dimethylamino)-2-methylpropyl]-5-oxophenothiazine-2-carbonitrile
SMILESC[C@H](CN(C)C)CN1c2ccccc2[S@@](=O)c2ccc(C#N)cc21
InChIInChI=1S/C19H21N3OS/c1-14(12-21(2)3)13-22-16-6-4-5-7-18(16)24(23)19-9-8-15(11-20)10-17(19)22/h4-10,14H,12-13H2,1-3H3/t14-,24-/m1/s1
InChIKeyKCPHNCFJFKSBMD-JBEBIEQOSA-N
XLogP3.37
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(2-cyanophenothiazin-10-yl)-10-[3-(dimethylamino)-2-methylpropyl]phenothiazine-2-carbonitrile
CID 76901139
10-[3-(dimethylamino)-2-methylpropyl]phenothiazine-2-carbonitrile;2-[2-[4-(2-methyl-3-phenothiazin-10-ylpropyl)piperazin-1-yl]ethoxy]ethanol
CID 174902133
(2R)-N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
CID 15558621
trimethyl-[1-(5-oxophenothiazin-10-yl)propan-2-yl]azanium iodide
CID 11744051
3-(2-ethylsulfanyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N,2-trimethylpropan-1-amine
CID 163835623
10-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]phenothiazine-2-carbonitrile
CID 67922717
10-oxo-9H-thioxanthene-3-carbonitrile
CID 70623834
(Z)-but-2-enedioic acid;3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
CID 6420056
but-2-enedioic acid;3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
CID 53395205
2,3-dihydroxybutanedioic acid;3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
CID 90213954
methanesulfonate;10-propan-2-ylphenothiazine-2-carbonitrile
CID 19822648
N,N,2-trimethyl-3-(5-phenyl-3-oxa-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),4,7,9,11,14,16-heptaen-13-yl)propan-1-amine
CID 13180190

Frequently Asked Questions

What is the IUPAC name of (5R)-10-[(2R)-3-(dimethylamino)-2-methylpropyl]-5-oxophenothiazine-2-carbonitrile?
The IUPAC name of (5R)-10-[(2R)-3-(dimethylamino)-2-methylpropyl]-5-oxophenothiazine-2-carbonitrile (CID 95162231) is (5R)-10-[(2R)-3-(dimethylamino)-2-methylpropyl]-5-oxophenothiazine-2-carbonitrile.
What is the SMILES notation for (5R)-10-[(2R)-3-(dimethylamino)-2-methylpropyl]-5-oxophenothiazine-2-carbonitrile?
The canonical SMILES for (5R)-10-[(2R)-3-(dimethylamino)-2-methylpropyl]-5-oxophenothiazine-2-carbonitrile is C[C@H](CN(C)C)CN1c2ccccc2[S@@](=O)c2ccc(C#N)cc21.
What is the InChIKey of (5R)-10-[(2R)-3-(dimethylamino)-2-methylpropyl]-5-oxophenothiazine-2-carbonitrile?
The InChIKey is KCPHNCFJFKSBMD-JBEBIEQOSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-14(12-21(2)3)13-22-16-6-4-5-7-18(16)24(23)19-9-8-15(11-20)10-17(19)22/h4-10,14H,12-13H2,1-3H3/t14-,24-/m1/s1.
What are the key properties of (5R)-10-[(2R)-3-(dimethylamino)-2-methylpropyl]-5-oxophenothiazine-2-carbonitrile?
(5R)-10-[(2R)-3-(dimethylamino)-2-methylpropyl]-5-oxophenothiazine-2-carbonitrile has a molecular weight of 339.46 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-10-[(2R)-3-(dimethylamino)-2-methylpropyl]-5-oxophenothiazine-2-carbonitrile is sourced from PubChem (CID 95162231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).