9-(1-methylpyrrolidin-3-yl)thioxanthen-9-ol

C18H19NOS — CID 163672707

IUPAC9-(1-methylpyrrolidin-3-yl)thioxanthen-9-ol
SMILESCN1CCC(C2(O)c3ccccc3Sc3ccccc32)C1
InChIInChI=1S/C18H19NOS/c1-19-11-10-13(12-19)18(20)14-6-2-4-8-16(14)21-17-9-5-3-7-15(17)18/h2-9,13,20H,10-12H2,1H3
InChIKeyJDYKKHTUGXRUOV-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.34
Rot. Bonds1

About 9-(1-methylpyrrolidin-3-yl)thioxanthen-9-ol

9-(1-methylpyrrolidin-3-yl)thioxanthen-9-ol (PubChem CID 163672707) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 9-(1-methylpyrrolidin-3-yl)thioxanthen-9-ol.

Molecular Properties

Compound Name9-(1-methylpyrrolidin-3-yl)thioxanthen-9-ol
PubChem CID163672707
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name9-(1-methylpyrrolidin-3-yl)thioxanthen-9-ol
SMILESCN1CCC(C2(O)c3ccccc3Sc3ccccc32)C1
InChIInChI=1S/C18H19NOS/c1-19-11-10-13(12-19)18(20)14-6-2-4-8-16(14)21-17-9-5-3-7-15(17)18/h2-9,13,20H,10-12H2,1H3
InChIKeyJDYKKHTUGXRUOV-UHFFFAOYSA-N
XLogP3.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-(1-methylpiperidin-4-yl)xanthen-9-ol
CID 14175791
(1S)-1-[(3R)-1-methylpyrrolidin-3-yl]-3,4-dihydro-2H-naphthalen-1-ol
CID 125482551
(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
6-fluoro-9-(1-methylpiperidin-4-yl)-2-methylsulfanylthioxanthen-9-ol
CID 23329078
4-hydroxy-4-(1-methylpiperidin-4-yl)benzo[f][1]benzothiol-9-one
CID 15728744
10-[(1-methylpyrrolidin-3-yl)methyl]phenothiazine
CID 14677
(5S)-5-(1-methylpiperidin-4-yl)chromeno[2,3-c]pyridin-5-ol
CID 125494655
2,2-difluoro-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol
CID 58951018
9-(1-benzylpyrrolidin-3-yl)fluoren-9-ol
CID 122392287
11-cyclopropyl-5-methyl-6H-benzo[c][1]benzazepin-11-ol
CID 18917162
1-methyl-3-[4-(9H-thioxanthen-9-yl)butyl]piperidine
CID 155569783
spiro[1,3-dithiolane-2,9'-thioxanthene]
CID 11066133

Frequently Asked Questions

What is the IUPAC name of 9-(1-methylpyrrolidin-3-yl)thioxanthen-9-ol?
The IUPAC name of 9-(1-methylpyrrolidin-3-yl)thioxanthen-9-ol (CID 163672707) is 9-(1-methylpyrrolidin-3-yl)thioxanthen-9-ol.
What is the SMILES notation for 9-(1-methylpyrrolidin-3-yl)thioxanthen-9-ol?
The canonical SMILES for 9-(1-methylpyrrolidin-3-yl)thioxanthen-9-ol is CN1CCC(C2(O)c3ccccc3Sc3ccccc32)C1.
What is the InChIKey of 9-(1-methylpyrrolidin-3-yl)thioxanthen-9-ol?
The InChIKey is JDYKKHTUGXRUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-19-11-10-13(12-19)18(20)14-6-2-4-8-16(14)21-17-9-5-3-7-15(17)18/h2-9,13,20H,10-12H2,1H3.
What are the key properties of 9-(1-methylpyrrolidin-3-yl)thioxanthen-9-ol?
9-(1-methylpyrrolidin-3-yl)thioxanthen-9-ol has a molecular weight of 297.42 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-methylpyrrolidin-3-yl)thioxanthen-9-ol is sourced from PubChem (CID 163672707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).