(2S)-2-[(S)-[2-(3-fluoropropoxy)phenyl]sulfanyl-phenylmethyl]morpholine

C20H24FNO2S — CID 24936132

IUPAC(2S)-2-[(S)-[2-(3-fluoropropoxy)phenyl]sulfanyl-phenylmethyl]morpholine
SMILESFCCCOc1ccccc1S[C@@H](c1ccccc1)[C@@H]1CNCCO1
InChIInChI=1S/C20H24FNO2S/c21-11-6-13-23-17-9-4-5-10-19(17)25-20(16-7-2-1-3-8-16)18-15-22-12-14-24-18/h1-5,7-10,18,20,22H,6,11-15H2/t18-,20-/m0/s1
InChIKeyXWFSWRARAVLBFN-ICSRJNTNSA-N
MW361.48 g/mol
LogP4.25
Rot. Bonds8

About (2S)-2-[(S)-[2-(3-fluoropropoxy)phenyl]sulfanyl-phenylmethyl]morpholine

(2S)-2-[(S)-[2-(3-fluoropropoxy)phenyl]sulfanyl-phenylmethyl]morpholine (PubChem CID 24936132) has the molecular formula C20H24FNO2S and a molecular weight of 361.48 g/mol. Its IUPAC name is (2S)-2-[(S)-[2-(3-fluoropropoxy)phenyl]sulfanyl-phenylmethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(S)-[2-(3-fluoropropoxy)phenyl]sulfanyl-phenylmethyl]morpholine
PubChem CID24936132
Molecular FormulaC20H24FNO2S
Molecular Weight361.48 g/mol
Exact Mass361.15
IUPAC Name(2S)-2-[(S)-[2-(3-fluoropropoxy)phenyl]sulfanyl-phenylmethyl]morpholine
SMILESFCCCOc1ccccc1S[C@@H](c1ccccc1)[C@@H]1CNCCO1
InChIInChI=1S/C20H24FNO2S/c21-11-6-13-23-17-9-4-5-10-19(17)25-20(16-7-2-1-3-8-16)18-15-22-12-14-24-18/h1-5,7-10,18,20,22H,6,11-15H2/t18-,20-/m0/s1
InChIKeyXWFSWRARAVLBFN-ICSRJNTNSA-N
XLogP4.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3-Phenylsulfanyl-propyl)-(2-p-tolyloxy-ethyl)-amine
CID 10638052
(S)-2-[(R)-(2-Ethoxy-phenoxy)-phenyl-methyl]-morpholine
CID 11594827
(+/-)-2-(4''-Benzyloxyphenyl)thiomorpholine
CID 46233269
(2S)-2-[(S)-[2-(2-fluoroethoxy)phenyl]sulfanyl-phenylmethyl]morpholine
CID 44457051
(2S)-2-[(S)-(2-methylsulfanylphenoxy)-phenylmethyl]morpholine
CID 44457059
(2S)-2-[(S)-(2-fluorophenoxy)-phenylmethyl]morpholine
CID 44578922
(2S)-2-[(S)-(4-fluorophenoxy)-phenylmethyl]morpholine
CID 44579369
N-methyl((3R,4R)-4-(o-tolyloxy)thiochroman-3-yl)methanamine
CID 44587385
N-methyl((3S,4S)-4-(2-(methylthio)phenoxy)-3,4-dihydro-1H-isochromen-3-yl)methanamine
CID 44587390
Teniloxazine
CID 119114
2-[(3-Fluorophenoxy)-phenylmethyl]morpholine
CID 44579370
N-methyl((3R,4S)-4-(2-(methylthio)phenoxy)-3,4-dihydro-1H-isochromen-3-yl)methanamine
CID 44587389

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(S)-[2-(3-fluoropropoxy)phenyl]sulfanyl-phenylmethyl]morpholine?
The IUPAC name of (2S)-2-[(S)-[2-(3-fluoropropoxy)phenyl]sulfanyl-phenylmethyl]morpholine (CID 24936132) is (2S)-2-[(S)-[2-(3-fluoropropoxy)phenyl]sulfanyl-phenylmethyl]morpholine.
What is the SMILES notation for (2S)-2-[(S)-[2-(3-fluoropropoxy)phenyl]sulfanyl-phenylmethyl]morpholine?
The canonical SMILES for (2S)-2-[(S)-[2-(3-fluoropropoxy)phenyl]sulfanyl-phenylmethyl]morpholine is FCCCOc1ccccc1S[C@@H](c1ccccc1)[C@@H]1CNCCO1.
What is the InChIKey of (2S)-2-[(S)-[2-(3-fluoropropoxy)phenyl]sulfanyl-phenylmethyl]morpholine?
The InChIKey is XWFSWRARAVLBFN-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H24FNO2S/c21-11-6-13-23-17-9-4-5-10-19(17)25-20(16-7-2-1-3-8-16)18-15-22-12-14-24-18/h1-5,7-10,18,20,22H,6,11-15H2/t18-,20-/m0/s1.
What are the key properties of (2S)-2-[(S)-[2-(3-fluoropropoxy)phenyl]sulfanyl-phenylmethyl]morpholine?
(2S)-2-[(S)-[2-(3-fluoropropoxy)phenyl]sulfanyl-phenylmethyl]morpholine has a molecular weight of 361.48 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(S)-[2-(3-fluoropropoxy)phenyl]sulfanyl-phenylmethyl]morpholine is sourced from PubChem (CID 24936132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).