6-fluoro-9-(1-methylpiperidin-4-yl)-2-methylsulfanylthioxanthen-9-ol

C20H22FNOS2 — CID 23329078

IUPAC6-fluoro-9-(1-methylpiperidin-4-yl)-2-methylsulfanylthioxanthen-9-ol
SMILESCSc1ccc2c(c1)C(O)(C1CCN(C)CC1)c1ccc(F)cc1S2
InChIInChI=1S/C20H22FNOS2/c1-22-9-7-13(8-10-22)20(23)16-5-3-14(21)11-19(16)25-18-6-4-15(24-2)12-17(18)20/h3-6,11-13,23H,7-10H2,1-2H3
InChIKeyUYGOENBGHHDHLT-UHFFFAOYSA-N
MW375.53 g/mol
LogP4.59
Rot. Bonds2

About 6-fluoro-9-(1-methylpiperidin-4-yl)-2-methylsulfanylthioxanthen-9-ol

6-fluoro-9-(1-methylpiperidin-4-yl)-2-methylsulfanylthioxanthen-9-ol (PubChem CID 23329078) has the molecular formula C20H22FNOS2 and a molecular weight of 375.53 g/mol. Its IUPAC name is 6-fluoro-9-(1-methylpiperidin-4-yl)-2-methylsulfanylthioxanthen-9-ol.

Molecular Properties

Compound Name6-fluoro-9-(1-methylpiperidin-4-yl)-2-methylsulfanylthioxanthen-9-ol
PubChem CID23329078
Molecular FormulaC20H22FNOS2
Molecular Weight375.53 g/mol
Exact Mass375.11
IUPAC Name6-fluoro-9-(1-methylpiperidin-4-yl)-2-methylsulfanylthioxanthen-9-ol
SMILESCSc1ccc2c(c1)C(O)(C1CCN(C)CC1)c1ccc(F)cc1S2
InChIInChI=1S/C20H22FNOS2/c1-22-9-7-13(8-10-22)20(23)16-5-3-14(21)11-19(16)25-18-6-4-15(24-2)12-17(18)20/h3-6,11-13,23H,7-10H2,1-2H3
InChIKeyUYGOENBGHHDHLT-UHFFFAOYSA-N
XLogP4.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.53
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(9-fluoro-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
CID 3041996
1-[(5S)-9-fluoro-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methylpiperazine
CID 1032672
9-(1-methylpyrrolidin-3-yl)thioxanthen-9-ol
CID 163672707
2-(1-methylpiperidin-4-yl)-13-methylsulfanyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ol
CID 19747288
3-[4-(9-fluoro-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol
CID 3042000
6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-amine
CID 58951095
9-(1-methylpiperidin-4-yl)xanthen-9-ol
CID 14175791
1-[(6S)-3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]-4-methylpiperazine
CID 1032666
1-(2-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine
CID 21449872
1-[(5S)-9-fluoro-3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methylpiperazine
CID 92763826
3-ethoxy-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 151219717
1-(2-chloro-8-fluoro-4,5-dihydrothieno[2,3-b][1]benzothiepin-4-yl)-4-methylpiperazine
CID 3067308

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-9-(1-methylpiperidin-4-yl)-2-methylsulfanylthioxanthen-9-ol?
The IUPAC name of 6-fluoro-9-(1-methylpiperidin-4-yl)-2-methylsulfanylthioxanthen-9-ol (CID 23329078) is 6-fluoro-9-(1-methylpiperidin-4-yl)-2-methylsulfanylthioxanthen-9-ol.
What is the SMILES notation for 6-fluoro-9-(1-methylpiperidin-4-yl)-2-methylsulfanylthioxanthen-9-ol?
The canonical SMILES for 6-fluoro-9-(1-methylpiperidin-4-yl)-2-methylsulfanylthioxanthen-9-ol is CSc1ccc2c(c1)C(O)(C1CCN(C)CC1)c1ccc(F)cc1S2.
What is the InChIKey of 6-fluoro-9-(1-methylpiperidin-4-yl)-2-methylsulfanylthioxanthen-9-ol?
The InChIKey is UYGOENBGHHDHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNOS2/c1-22-9-7-13(8-10-22)20(23)16-5-3-14(21)11-19(16)25-18-6-4-15(24-2)12-17(18)20/h3-6,11-13,23H,7-10H2,1-2H3.
What are the key properties of 6-fluoro-9-(1-methylpiperidin-4-yl)-2-methylsulfanylthioxanthen-9-ol?
6-fluoro-9-(1-methylpiperidin-4-yl)-2-methylsulfanylthioxanthen-9-ol has a molecular weight of 375.53 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-9-(1-methylpiperidin-4-yl)-2-methylsulfanylthioxanthen-9-ol is sourced from PubChem (CID 23329078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).