10-(2-pyrrolidin-1-ylethyl)phenothiazine

C18H20N2S — CID 10646

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IUPAC10-(2-pyrrolidin-1-ylethyl)phenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2CCN1CCCC1
InChIInChI=1S/C18H20N2S/c1-3-9-17-15(7-1)20(14-13-19-11-5-6-12-19)16-8-2-4-10-18(16)21-17/h1-4,7-10H,5-6,11-14H2
InChIKeyKJKJUXGEMYCCJN-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.39
Rot. Bonds3

About 10-(2-pyrrolidin-1-ylethyl)phenothiazine

10-(2-pyrrolidin-1-ylethyl)phenothiazine (PubChem CID 10646) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 10-(2-pyrrolidin-1-ylethyl)phenothiazine.

Molecular Properties

Compound Name10-(2-pyrrolidin-1-ylethyl)phenothiazine
PubChem CID10646
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name10-(2-pyrrolidin-1-ylethyl)phenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2CCN1CCCC1
InChIInChI=1S/C18H20N2S/c1-3-9-17-15(7-1)20(14-13-19-11-5-6-12-19)16-8-2-4-10-18(16)21-17/h1-4,7-10H,5-6,11-14H2
InChIKeyKJKJUXGEMYCCJN-UHFFFAOYSA-N
XLogP4.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

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Related Compounds

Phenothiazine
CID 7108
Promethazine
CID 4927
(+-)-Trimeprazine
CID 5574
Promazine
CID 4926
Thiethylperazine
CID 5440
Promethazine Hydrochloride
CID 6014
Perazine
CID 4744
Methdilazine
CID 14677
(+-)-Ethopropazine
CID 3290
Methdilazine Hydrochloride
CID 14676
Promazine Hydrochloride
CID 5887
Pecazine
CID 6075

Frequently Asked Questions

What is the IUPAC name of 10-(2-pyrrolidin-1-ylethyl)phenothiazine?
The IUPAC name of 10-(2-pyrrolidin-1-ylethyl)phenothiazine (CID 10646) is 10-(2-pyrrolidin-1-ylethyl)phenothiazine.
What is the SMILES notation for 10-(2-pyrrolidin-1-ylethyl)phenothiazine?
The canonical SMILES for 10-(2-pyrrolidin-1-ylethyl)phenothiazine is c1ccc2c(c1)Sc1ccccc1N2CCN1CCCC1.
What is the InChIKey of 10-(2-pyrrolidin-1-ylethyl)phenothiazine?
The InChIKey is KJKJUXGEMYCCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-3-9-17-15(7-1)20(14-13-19-11-5-6-12-19)16-8-2-4-10-18(16)21-17/h1-4,7-10H,5-6,11-14H2.
What are the key properties of 10-(2-pyrrolidin-1-ylethyl)phenothiazine?
10-(2-pyrrolidin-1-ylethyl)phenothiazine has a molecular weight of 296.44 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-pyrrolidin-1-ylethyl)phenothiazine is sourced from PubChem (CID 10646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).