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

C18H20N2S — CID 70194126

IUPAC1-(1-pyrrolidin-1-ylethyl)-10H-phenothiazine
SMILESCC(c1cccc2c1Nc1ccccc1S2)N1CCCC1
InChIInChI=1S/C18H20N2S/c1-13(20-11-4-5-12-20)14-7-6-10-17-18(14)19-15-8-2-3-9-16(15)21-17/h2-3,6-10,13,19H,4-5,11-12H2,1H3
InChIKeyYOOSAPSLIJSZEM-UHFFFAOYSA-N
MW296.44 g/mol
LogP5.05
Rot. Bonds2

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

1-(1-pyrrolidin-1-ylethyl)-10H-phenothiazine (PubChem CID 70194126) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-(1-pyrrolidin-1-ylethyl)-10H-phenothiazine.

Molecular Properties

Compound Name1-(1-pyrrolidin-1-ylethyl)-10H-phenothiazine
PubChem CID70194126
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name1-(1-pyrrolidin-1-ylethyl)-10H-phenothiazine
SMILESCC(c1cccc2c1Nc1ccccc1S2)N1CCCC1
InChIInChI=1S/C18H20N2S/c1-13(20-11-4-5-12-20)14-7-6-10-17-18(14)19-15-8-2-3-9-16(15)21-17/h2-3,6-10,13,19H,4-5,11-12H2,1H3
InChIKeyYOOSAPSLIJSZEM-UHFFFAOYSA-N
XLogP5.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.44
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-pyrrolidin-1-ylethyl)-10H-phenothiazine?
The IUPAC name of 1-(1-pyrrolidin-1-ylethyl)-10H-phenothiazine (CID 70194126) is 1-(1-pyrrolidin-1-ylethyl)-10H-phenothiazine.
What is the SMILES notation for 1-(1-pyrrolidin-1-ylethyl)-10H-phenothiazine?
The canonical SMILES for 1-(1-pyrrolidin-1-ylethyl)-10H-phenothiazine is CC(c1cccc2c1Nc1ccccc1S2)N1CCCC1.
What is the InChIKey of 1-(1-pyrrolidin-1-ylethyl)-10H-phenothiazine?
The InChIKey is YOOSAPSLIJSZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-13(20-11-4-5-12-20)14-7-6-10-17-18(14)19-15-8-2-3-9-16(15)21-17/h2-3,6-10,13,19H,4-5,11-12H2,1H3.
What are the key properties of 1-(1-pyrrolidin-1-ylethyl)-10H-phenothiazine?
1-(1-pyrrolidin-1-ylethyl)-10H-phenothiazine has a molecular weight of 296.44 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrrolidin-1-ylethyl)-10H-phenothiazine is sourced from PubChem (CID 70194126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).