10-[3-(dimethylamino)propyl]phenothiazine-2-carbonitrile

C18H19N3S — CID 3014577

IUPAC10-[3-(dimethylamino)propyl]phenothiazine-2-carbonitrile
SMILESCN(C)CCCN1c2ccccc2Sc2ccc(C#N)cc21
InChIInChI=1S/C18H19N3S/c1-20(2)10-5-11-21-15-6-3-4-7-17(15)22-18-9-8-14(13-19)12-16(18)21/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKeyDPOOMRSSWIZKDK-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.11
Rot. Bonds4

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

10-[3-(dimethylamino)propyl]phenothiazine-2-carbonitrile (PubChem CID 3014577) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is 10-[3-(dimethylamino)propyl]phenothiazine-2-carbonitrile.

Molecular Properties

Compound Name10-[3-(dimethylamino)propyl]phenothiazine-2-carbonitrile
PubChem CID3014577
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC Name10-[3-(dimethylamino)propyl]phenothiazine-2-carbonitrile
SMILESCN(C)CCCN1c2ccccc2Sc2ccc(C#N)cc21
InChIInChI=1S/C18H19N3S/c1-20(2)10-5-11-21-15-6-3-4-7-17(15)22-18-9-8-14(13-19)12-16(18)21/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKeyDPOOMRSSWIZKDK-UHFFFAOYSA-N
XLogP4.11
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(dimethylamino)propyl]phenothiazine-2-carbonitrile?
The IUPAC name of 10-[3-(dimethylamino)propyl]phenothiazine-2-carbonitrile (CID 3014577) is 10-[3-(dimethylamino)propyl]phenothiazine-2-carbonitrile.
What is the SMILES notation for 10-[3-(dimethylamino)propyl]phenothiazine-2-carbonitrile?
The canonical SMILES for 10-[3-(dimethylamino)propyl]phenothiazine-2-carbonitrile is CN(C)CCCN1c2ccccc2Sc2ccc(C#N)cc21.
What is the InChIKey of 10-[3-(dimethylamino)propyl]phenothiazine-2-carbonitrile?
The InChIKey is DPOOMRSSWIZKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-20(2)10-5-11-21-15-6-3-4-7-17(15)22-18-9-8-14(13-19)12-16(18)21/h3-4,6-9,12H,5,10-11H2,1-2H3.
What are the key properties of 10-[3-(dimethylamino)propyl]phenothiazine-2-carbonitrile?
10-[3-(dimethylamino)propyl]phenothiazine-2-carbonitrile has a molecular weight of 309.44 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(dimethylamino)propyl]phenothiazine-2-carbonitrile is sourced from PubChem (CID 3014577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).