6-(thiomorpholin-4-ylmethyl)-2,3-dihydroinden-1-one

C14H17NOS — CID 69203750

IUPAC6-(thiomorpholin-4-ylmethyl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2ccc(CN3CCSCC3)cc21
InChIInChI=1S/C14H17NOS/c16-14-4-3-12-2-1-11(9-13(12)14)10-15-5-7-17-8-6-15/h1-2,9H,3-8,10H2
InChIKeyMFIDIXKYZCJZKH-UHFFFAOYSA-N
MW247.36 g/mol
LogP2.36
Rot. Bonds2

About 6-(thiomorpholin-4-ylmethyl)-2,3-dihydroinden-1-one

6-(thiomorpholin-4-ylmethyl)-2,3-dihydroinden-1-one (PubChem CID 69203750) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 6-(thiomorpholin-4-ylmethyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-(thiomorpholin-4-ylmethyl)-2,3-dihydroinden-1-one
PubChem CID69203750
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name6-(thiomorpholin-4-ylmethyl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2ccc(CN3CCSCC3)cc21
InChIInChI=1S/C14H17NOS/c16-14-4-3-12-2-1-11(9-13(12)14)10-15-5-7-17-8-6-15/h1-2,9H,3-8,10H2
InChIKeyMFIDIXKYZCJZKH-UHFFFAOYSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(thiomorpholin-4-ylmethyl)-2,3-dihydroinden-1-one?
The IUPAC name of 6-(thiomorpholin-4-ylmethyl)-2,3-dihydroinden-1-one (CID 69203750) is 6-(thiomorpholin-4-ylmethyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-(thiomorpholin-4-ylmethyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 6-(thiomorpholin-4-ylmethyl)-2,3-dihydroinden-1-one is O=C1CCc2ccc(CN3CCSCC3)cc21.
What is the InChIKey of 6-(thiomorpholin-4-ylmethyl)-2,3-dihydroinden-1-one?
The InChIKey is MFIDIXKYZCJZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c16-14-4-3-12-2-1-11(9-13(12)14)10-15-5-7-17-8-6-15/h1-2,9H,3-8,10H2.
What are the key properties of 6-(thiomorpholin-4-ylmethyl)-2,3-dihydroinden-1-one?
6-(thiomorpholin-4-ylmethyl)-2,3-dihydroinden-1-one has a molecular weight of 247.36 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(thiomorpholin-4-ylmethyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 69203750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).