10-[(1-methylpyrrolidin-3-yl)methyl]phenothiazine

C18H20N2S — CID 14677

IUPAC10-[(1-methylpyrrolidin-3-yl)methyl]phenothiazine
SMILESCN1CCC(CN2c3ccccc3Sc3ccccc32)C1
InChIInChI=1S/C18H20N2S/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-9,14H,10-13H2,1H3
InChIKeyHTMIBDQKFHUPSX-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.24
Rot. Bonds2

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

10-[(1-methylpyrrolidin-3-yl)methyl]phenothiazine (PubChem CID 14677) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 10-[(1-methylpyrrolidin-3-yl)methyl]phenothiazine.

Molecular Properties

Compound Name10-[(1-methylpyrrolidin-3-yl)methyl]phenothiazine
PubChem CID14677
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name10-[(1-methylpyrrolidin-3-yl)methyl]phenothiazine
SMILESCN1CCC(CN2c3ccccc3Sc3ccccc32)C1
InChIInChI=1S/C18H20N2S/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-9,14H,10-13H2,1H3
InChIKeyHTMIBDQKFHUPSX-UHFFFAOYSA-N
XLogP4.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.24
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-methyl-10-[[(3S)-1-methylpiperidin-3-yl]methyl]phenothiazine
CID 164922828
10-[(1-methylpiperidin-3-yl)methyl]-2-propylphenothiazine
CID 86303258
2-ethyl-10-[(1-methylpiperidin-3-yl)methyl]phenothiazin-1-ol
CID 90203365
10-[(4-ethylpiperidin-1-yl)methyl]phenothiazine
CID 18718429
10-(piperidin-3-ylmethyl)phenothiazine;hydrochloride
CID 146675496
(2S,7S)-4-methyl-14-thia-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
CID 56843495
10-[2-(4-methylpiperazin-1-yl)propyl]phenothiazine
CID 3024375
diethyl(2-phenothiazin-10-ylethyl)azanium
CID 6918965
10-(2-methyl-4-pyrrolidin-1-ylbutyl)phenothiazine
CID 15882871
10-butylphenothiazine;propane
CID 177020956
9-(1-methylpyrrolidin-3-yl)thioxanthen-9-ol
CID 163672707
1-methyl-3-[4-(9H-thioxanthen-9-yl)butyl]piperidine
CID 155569783

Frequently Asked Questions

What is the IUPAC name of 10-[(1-methylpyrrolidin-3-yl)methyl]phenothiazine?
The IUPAC name of 10-[(1-methylpyrrolidin-3-yl)methyl]phenothiazine (CID 14677) is 10-[(1-methylpyrrolidin-3-yl)methyl]phenothiazine.
What is the SMILES notation for 10-[(1-methylpyrrolidin-3-yl)methyl]phenothiazine?
The canonical SMILES for 10-[(1-methylpyrrolidin-3-yl)methyl]phenothiazine is CN1CCC(CN2c3ccccc3Sc3ccccc32)C1.
What is the InChIKey of 10-[(1-methylpyrrolidin-3-yl)methyl]phenothiazine?
The InChIKey is HTMIBDQKFHUPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-9,14H,10-13H2,1H3.
What are the key properties of 10-[(1-methylpyrrolidin-3-yl)methyl]phenothiazine?
10-[(1-methylpyrrolidin-3-yl)methyl]phenothiazine has a molecular weight of 296.44 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(1-methylpyrrolidin-3-yl)methyl]phenothiazine is sourced from PubChem (CID 14677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).