2,3-diphenylthiomorpholine

C16H17NS — CID 13166168

IUPAC2,3-diphenylthiomorpholine
SMILESc1ccc(C2NCCSC2c2ccccc2)cc1
InChIInChI=1S/C16H17NS/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2
InChIKeyKMAWGPSBGXQDPN-UHFFFAOYSA-N
MW255.39 g/mol
LogP3.81
Rot. Bonds2

About 2,3-diphenylthiomorpholine

2,3-diphenylthiomorpholine (PubChem CID 13166168) has the molecular formula C16H17NS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2,3-diphenylthiomorpholine.

Molecular Properties

Compound Name2,3-diphenylthiomorpholine
PubChem CID13166168
Molecular FormulaC16H17NS
Molecular Weight255.39 g/mol
Exact Mass255.11
IUPAC Name2,3-diphenylthiomorpholine
SMILESc1ccc(C2NCCSC2c2ccccc2)cc1
InChIInChI=1S/C16H17NS/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2
InChIKeyKMAWGPSBGXQDPN-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenylthiomorpholine?
The IUPAC name of 2,3-diphenylthiomorpholine (CID 13166168) is 2,3-diphenylthiomorpholine.
What is the SMILES notation for 2,3-diphenylthiomorpholine?
The canonical SMILES for 2,3-diphenylthiomorpholine is c1ccc(C2NCCSC2c2ccccc2)cc1.
What is the InChIKey of 2,3-diphenylthiomorpholine?
The InChIKey is KMAWGPSBGXQDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NS/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2.
What are the key properties of 2,3-diphenylthiomorpholine?
2,3-diphenylthiomorpholine has a molecular weight of 255.39 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenylthiomorpholine is sourced from PubChem (CID 13166168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).