4-[(1-naphthalen-2-ylindol-4-yl)methyl]thiomorpholine

C23H22N2S — CID 156772756

IUPAC4-[(1-naphthalen-2-ylindol-4-yl)methyl]thiomorpholine
SMILESc1ccc2cc(-n3ccc4c(CN5CCSCC5)cccc43)ccc2c1
InChIInChI=1S/C23H22N2S/c1-2-5-19-16-21(9-8-18(19)4-1)25-11-10-22-20(6-3-7-23(22)25)17-24-12-14-26-15-13-24/h1-11,16H,12-15,17H2
InChIKeyOPZZZWKUAIXVBU-UHFFFAOYSA-N
MW358.51 g/mol
LogP5.33
Rot. Bonds3

About 4-[(1-naphthalen-2-ylindol-4-yl)methyl]thiomorpholine

4-[(1-naphthalen-2-ylindol-4-yl)methyl]thiomorpholine (PubChem CID 156772756) has the molecular formula C23H22N2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 4-[(1-naphthalen-2-ylindol-4-yl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(1-naphthalen-2-ylindol-4-yl)methyl]thiomorpholine
PubChem CID156772756
Molecular FormulaC23H22N2S
Molecular Weight358.51 g/mol
Exact Mass358.15
IUPAC Name4-[(1-naphthalen-2-ylindol-4-yl)methyl]thiomorpholine
SMILESc1ccc2cc(-n3ccc4c(CN5CCSCC5)cccc43)ccc2c1
InChIInChI=1S/C23H22N2S/c1-2-5-19-16-21(9-8-18(19)4-1)25-11-10-22-20(6-3-7-23(22)25)17-24-12-14-26-15-13-24/h1-11,16H,12-15,17H2
InChIKeyOPZZZWKUAIXVBU-UHFFFAOYSA-N
XLogP5.33
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.51
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-naphthalen-2-ylindol-4-yl)methyl]thiomorpholine?
The IUPAC name of 4-[(1-naphthalen-2-ylindol-4-yl)methyl]thiomorpholine (CID 156772756) is 4-[(1-naphthalen-2-ylindol-4-yl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(1-naphthalen-2-ylindol-4-yl)methyl]thiomorpholine?
The canonical SMILES for 4-[(1-naphthalen-2-ylindol-4-yl)methyl]thiomorpholine is c1ccc2cc(-n3ccc4c(CN5CCSCC5)cccc43)ccc2c1.
What is the InChIKey of 4-[(1-naphthalen-2-ylindol-4-yl)methyl]thiomorpholine?
The InChIKey is OPZZZWKUAIXVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2S/c1-2-5-19-16-21(9-8-18(19)4-1)25-11-10-22-20(6-3-7-23(22)25)17-24-12-14-26-15-13-24/h1-11,16H,12-15,17H2.
What are the key properties of 4-[(1-naphthalen-2-ylindol-4-yl)methyl]thiomorpholine?
4-[(1-naphthalen-2-ylindol-4-yl)methyl]thiomorpholine has a molecular weight of 358.51 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-naphthalen-2-ylindol-4-yl)methyl]thiomorpholine is sourced from PubChem (CID 156772756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).