(2S)-4-benzyl-2-[(S)-(2-fluorophenyl)sulfanyl-phenylmethyl]morpholine

C24H24FNOS — CID 59732201

IUPAC(2S)-4-benzyl-2-[(S)-(2-fluorophenyl)sulfanyl-phenylmethyl]morpholine
SMILESFc1ccccc1S[C@@H](c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C24H24FNOS/c25-21-13-7-8-14-23(21)28-24(20-11-5-2-6-12-20)22-18-26(15-16-27-22)17-19-9-3-1-4-10-19/h1-14,22,24H,15-18H2/t22-,24-/m0/s1
InChIKeyVWAGAEXNFIUSLD-UPVQGACJSA-N
MW393.53 g/mol
LogP5.56
Rot. Bonds6

About (2S)-4-benzyl-2-[(S)-(2-fluorophenyl)sulfanyl-phenylmethyl]morpholine

(2S)-4-benzyl-2-[(S)-(2-fluorophenyl)sulfanyl-phenylmethyl]morpholine (PubChem CID 59732201) has the molecular formula C24H24FNOS and a molecular weight of 393.53 g/mol. Its IUPAC name is (2S)-4-benzyl-2-[(S)-(2-fluorophenyl)sulfanyl-phenylmethyl]morpholine.

Molecular Properties

Compound Name(2S)-4-benzyl-2-[(S)-(2-fluorophenyl)sulfanyl-phenylmethyl]morpholine
PubChem CID59732201
Molecular FormulaC24H24FNOS
Molecular Weight393.53 g/mol
Exact Mass393.16
IUPAC Name(2S)-4-benzyl-2-[(S)-(2-fluorophenyl)sulfanyl-phenylmethyl]morpholine
SMILESFc1ccccc1S[C@@H](c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C24H24FNOS/c25-21-13-7-8-14-23(21)28-24(20-11-5-2-6-12-20)22-18-26(15-16-27-22)17-19-9-3-1-4-10-19/h1-14,22,24H,15-18H2/t22-,24-/m0/s1
InChIKeyVWAGAEXNFIUSLD-UPVQGACJSA-N
XLogP5.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzyl-2-[(S)-(2-fluorophenyl)sulfanyl-phenylmethyl]morpholine?
The IUPAC name of (2S)-4-benzyl-2-[(S)-(2-fluorophenyl)sulfanyl-phenylmethyl]morpholine (CID 59732201) is (2S)-4-benzyl-2-[(S)-(2-fluorophenyl)sulfanyl-phenylmethyl]morpholine.
What is the SMILES notation for (2S)-4-benzyl-2-[(S)-(2-fluorophenyl)sulfanyl-phenylmethyl]morpholine?
The canonical SMILES for (2S)-4-benzyl-2-[(S)-(2-fluorophenyl)sulfanyl-phenylmethyl]morpholine is Fc1ccccc1S[C@@H](c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of (2S)-4-benzyl-2-[(S)-(2-fluorophenyl)sulfanyl-phenylmethyl]morpholine?
The InChIKey is VWAGAEXNFIUSLD-UPVQGACJSA-N. The full InChI is InChI=1S/C24H24FNOS/c25-21-13-7-8-14-23(21)28-24(20-11-5-2-6-12-20)22-18-26(15-16-27-22)17-19-9-3-1-4-10-19/h1-14,22,24H,15-18H2/t22-,24-/m0/s1.
What are the key properties of (2S)-4-benzyl-2-[(S)-(2-fluorophenyl)sulfanyl-phenylmethyl]morpholine?
(2S)-4-benzyl-2-[(S)-(2-fluorophenyl)sulfanyl-phenylmethyl]morpholine has a molecular weight of 393.53 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzyl-2-[(S)-(2-fluorophenyl)sulfanyl-phenylmethyl]morpholine is sourced from PubChem (CID 59732201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).