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

C19H21N3S — CID 14050068

IUPAC10-[(2R)-3-(dimethylamino)-2-methylpropyl]phenothiazine-2-carbonitrile
SMILESC[C@H](CN(C)C)CN1c2ccccc2Sc2ccc(C#N)cc21
InChIInChI=1S/C19H21N3S/c1-14(12-21(2)3)13-22-16-6-4-5-7-18(16)23-19-9-8-15(11-20)10-17(19)22/h4-10,14H,12-13H2,1-3H3/t14-/m1/s1
InChIKeySLFGIOIONGJGRT-CQSZACIVSA-N
MW323.47 g/mol
LogP4.36
Rot. Bonds4

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

10-[(2R)-3-(dimethylamino)-2-methylpropyl]phenothiazine-2-carbonitrile (PubChem CID 14050068) has the molecular formula C19H21N3S and a molecular weight of 323.47 g/mol. Its IUPAC name is 10-[(2R)-3-(dimethylamino)-2-methylpropyl]phenothiazine-2-carbonitrile.

Molecular Properties

Compound Name10-[(2R)-3-(dimethylamino)-2-methylpropyl]phenothiazine-2-carbonitrile
PubChem CID14050068
Molecular FormulaC19H21N3S
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC Name10-[(2R)-3-(dimethylamino)-2-methylpropyl]phenothiazine-2-carbonitrile
SMILESC[C@H](CN(C)C)CN1c2ccccc2Sc2ccc(C#N)cc21
InChIInChI=1S/C19H21N3S/c1-14(12-21(2)3)13-22-16-6-4-5-7-18(16)23-19-9-8-15(11-20)10-17(19)22/h4-10,14H,12-13H2,1-3H3/t14-/m1/s1
InChIKeySLFGIOIONGJGRT-CQSZACIVSA-N
XLogP4.36
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-[(2R)-3-(dimethylamino)-2-methylpropyl]phenothiazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-[(2R)-3-(dimethylamino)-2-methylpropyl]phenothiazine-2-carbonitrile?
The IUPAC name of 10-[(2R)-3-(dimethylamino)-2-methylpropyl]phenothiazine-2-carbonitrile (CID 14050068) is 10-[(2R)-3-(dimethylamino)-2-methylpropyl]phenothiazine-2-carbonitrile.
What is the SMILES notation for 10-[(2R)-3-(dimethylamino)-2-methylpropyl]phenothiazine-2-carbonitrile?
The canonical SMILES for 10-[(2R)-3-(dimethylamino)-2-methylpropyl]phenothiazine-2-carbonitrile is C[C@H](CN(C)C)CN1c2ccccc2Sc2ccc(C#N)cc21.
What is the InChIKey of 10-[(2R)-3-(dimethylamino)-2-methylpropyl]phenothiazine-2-carbonitrile?
The InChIKey is SLFGIOIONGJGRT-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N3S/c1-14(12-21(2)3)13-22-16-6-4-5-7-18(16)23-19-9-8-15(11-20)10-17(19)22/h4-10,14H,12-13H2,1-3H3/t14-/m1/s1.
What are the key properties of 10-[(2R)-3-(dimethylamino)-2-methylpropyl]phenothiazine-2-carbonitrile?
10-[(2R)-3-(dimethylamino)-2-methylpropyl]phenothiazine-2-carbonitrile has a molecular weight of 323.47 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2R)-3-(dimethylamino)-2-methylpropyl]phenothiazine-2-carbonitrile is sourced from PubChem (CID 14050068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).