10-(2-methyl-4-pyrrolidin-1-ylbutyl)phenothiazine

C21H26N2S — CID 15882871

IUPAC10-(2-methyl-4-pyrrolidin-1-ylbutyl)phenothiazine
SMILESCC(CCN1CCCC1)CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H26N2S/c1-17(12-15-22-13-6-7-14-22)16-23-18-8-2-4-10-20(18)24-21-11-5-3-9-19(21)23/h2-5,8-11,17H,6-7,12-16H2,1H3
InChIKeyJFOGURSSBUYPSG-UHFFFAOYSA-N
MW338.52 g/mol
LogP5.41
Rot. Bonds5

About 10-(2-methyl-4-pyrrolidin-1-ylbutyl)phenothiazine

10-(2-methyl-4-pyrrolidin-1-ylbutyl)phenothiazine (PubChem CID 15882871) has the molecular formula C21H26N2S and a molecular weight of 338.52 g/mol. Its IUPAC name is 10-(2-methyl-4-pyrrolidin-1-ylbutyl)phenothiazine.

Molecular Properties

Compound Name10-(2-methyl-4-pyrrolidin-1-ylbutyl)phenothiazine
PubChem CID15882871
Molecular FormulaC21H26N2S
Molecular Weight338.52 g/mol
Exact Mass338.18
IUPAC Name10-(2-methyl-4-pyrrolidin-1-ylbutyl)phenothiazine
SMILESCC(CCN1CCCC1)CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H26N2S/c1-17(12-15-22-13-6-7-14-22)16-23-18-8-2-4-10-20(18)24-21-11-5-3-9-19(21)23/h2-5,8-11,17H,6-7,12-16H2,1H3
InChIKeyJFOGURSSBUYPSG-UHFFFAOYSA-N
XLogP5.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.52
LogP ≤ 55.41
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

2-[2-[4-[(2R)-2-methyl-3-phenothiazin-10-ylpropyl]piperazin-1-yl]ethoxy]ethanol;dihydrochloride
CID 10300612
(2R)-N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
CID 15558621
10-[2-(4-methylpiperazin-1-yl)propyl]phenothiazine
CID 3024375
10-[3-(azepin-1-yl)-2-methylpropyl]phenothiazine
CID 100978337
2-[2-[4-[(2S)-3-(2-chlorophenothiazin-10-yl)-2-methylpropyl]piperazin-1-yl]ethoxy]ethanol
CID 92774175
azane;10-(2-chloropropyl)phenothiazine
CID 70621156
1-phenothiazin-10-ylpropan-2-amine;hydroiodide
CID 173450767
N-(1-phenothiazin-10-ylpropan-2-yl)methanimine oxide
CID 12715275
10-(2,3,3-trimethylbutyl)phenothiazine
CID 134538471
10-[2-(4-benzylpiperazin-1-yl)propyl]phenothiazine
CID 3029936
N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine;dihydrochloride
CID 23615719
N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;hydrate;dihydrochloride
CID 68867493

Frequently Asked Questions

What is the IUPAC name of 10-(2-methyl-4-pyrrolidin-1-ylbutyl)phenothiazine?
The IUPAC name of 10-(2-methyl-4-pyrrolidin-1-ylbutyl)phenothiazine (CID 15882871) is 10-(2-methyl-4-pyrrolidin-1-ylbutyl)phenothiazine.
What is the SMILES notation for 10-(2-methyl-4-pyrrolidin-1-ylbutyl)phenothiazine?
The canonical SMILES for 10-(2-methyl-4-pyrrolidin-1-ylbutyl)phenothiazine is CC(CCN1CCCC1)CN1c2ccccc2Sc2ccccc21.
What is the InChIKey of 10-(2-methyl-4-pyrrolidin-1-ylbutyl)phenothiazine?
The InChIKey is JFOGURSSBUYPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2S/c1-17(12-15-22-13-6-7-14-22)16-23-18-8-2-4-10-20(18)24-21-11-5-3-9-19(21)23/h2-5,8-11,17H,6-7,12-16H2,1H3.
What are the key properties of 10-(2-methyl-4-pyrrolidin-1-ylbutyl)phenothiazine?
10-(2-methyl-4-pyrrolidin-1-ylbutyl)phenothiazine has a molecular weight of 338.52 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methyl-4-pyrrolidin-1-ylbutyl)phenothiazine is sourced from PubChem (CID 15882871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).