10-[(1,3-diethylpyrrolidin-3-yl)methyl]phenothiazine

C21H26N2S — CID 10359800

IUPAC10-[(1,3-diethylpyrrolidin-3-yl)methyl]phenothiazine
SMILESCCN1CCC(CC)(CN2c3ccccc3Sc3ccccc32)C1
InChIInChI=1S/C21H26N2S/c1-3-21(13-14-22(4-2)15-21)16-23-17-9-5-7-11-19(17)24-20-12-8-6-10-18(20)23/h5-12H,3-4,13-16H2,1-2H3
InChIKeyOFMSXHDZSCILAD-UHFFFAOYSA-N
MW338.52 g/mol
LogP5.41
Rot. Bonds4

About 10-[(1,3-diethylpyrrolidin-3-yl)methyl]phenothiazine

10-[(1,3-diethylpyrrolidin-3-yl)methyl]phenothiazine (PubChem CID 10359800) has the molecular formula C21H26N2S and a molecular weight of 338.52 g/mol. Its IUPAC name is 10-[(1,3-diethylpyrrolidin-3-yl)methyl]phenothiazine.

Molecular Properties

Compound Name10-[(1,3-diethylpyrrolidin-3-yl)methyl]phenothiazine
PubChem CID10359800
Molecular FormulaC21H26N2S
Molecular Weight338.52 g/mol
Exact Mass338.18
IUPAC Name10-[(1,3-diethylpyrrolidin-3-yl)methyl]phenothiazine
SMILESCCN1CCC(CC)(CN2c3ccccc3Sc3ccccc32)C1
InChIInChI=1S/C21H26N2S/c1-3-21(13-14-22(4-2)15-21)16-23-17-9-5-7-11-19(17)24-20-12-8-6-10-18(20)23/h5-12H,3-4,13-16H2,1-2H3
InChIKeyOFMSXHDZSCILAD-UHFFFAOYSA-N
XLogP5.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.52
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-[(1,3-diethylpyrrolidin-3-yl)methyl]phenothiazine?
The IUPAC name of 10-[(1,3-diethylpyrrolidin-3-yl)methyl]phenothiazine (CID 10359800) is 10-[(1,3-diethylpyrrolidin-3-yl)methyl]phenothiazine.
What is the SMILES notation for 10-[(1,3-diethylpyrrolidin-3-yl)methyl]phenothiazine?
The canonical SMILES for 10-[(1,3-diethylpyrrolidin-3-yl)methyl]phenothiazine is CCN1CCC(CC)(CN2c3ccccc3Sc3ccccc32)C1.
What is the InChIKey of 10-[(1,3-diethylpyrrolidin-3-yl)methyl]phenothiazine?
The InChIKey is OFMSXHDZSCILAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2S/c1-3-21(13-14-22(4-2)15-21)16-23-17-9-5-7-11-19(17)24-20-12-8-6-10-18(20)23/h5-12H,3-4,13-16H2,1-2H3.
What are the key properties of 10-[(1,3-diethylpyrrolidin-3-yl)methyl]phenothiazine?
10-[(1,3-diethylpyrrolidin-3-yl)methyl]phenothiazine has a molecular weight of 338.52 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(1,3-diethylpyrrolidin-3-yl)methyl]phenothiazine is sourced from PubChem (CID 10359800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).