(2S)-2-[(S)-(2-methoxyphenyl)sulfanyl-phenylmethyl]morpholine

C18H21NO2S — CID 11594827

IUPAC(2S)-2-[(S)-(2-methoxyphenyl)sulfanyl-phenylmethyl]morpholine
SMILESCOc1ccccc1S[C@@H](c1ccccc1)[C@@H]1CNCCO1
InChIInChI=1S/C18H21NO2S/c1-20-15-9-5-6-10-17(15)22-18(14-7-3-2-4-8-14)16-13-19-11-12-21-16/h2-10,16,18-19H,11-13H2,1H3/t16-,18-/m0/s1
InChIKeyVWKLNUPRXXIKKE-WMZOPIPTSA-N
MW315.44 g/mol
LogP3.52
Rot. Bonds5

About (2S)-2-[(S)-(2-methoxyphenyl)sulfanyl-phenylmethyl]morpholine

(2S)-2-[(S)-(2-methoxyphenyl)sulfanyl-phenylmethyl]morpholine (PubChem CID 11594827) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is (2S)-2-[(S)-(2-methoxyphenyl)sulfanyl-phenylmethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(S)-(2-methoxyphenyl)sulfanyl-phenylmethyl]morpholine
PubChem CID11594827
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name(2S)-2-[(S)-(2-methoxyphenyl)sulfanyl-phenylmethyl]morpholine
SMILESCOc1ccccc1S[C@@H](c1ccccc1)[C@@H]1CNCCO1
InChIInChI=1S/C18H21NO2S/c1-20-15-9-5-6-10-17(15)22-18(14-7-3-2-4-8-14)16-13-19-11-12-21-16/h2-10,16,18-19H,11-13H2,1H3/t16-,18-/m0/s1
InChIKeyVWKLNUPRXXIKKE-WMZOPIPTSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(R)-(4-fluorophenyl)-(2-methoxyphenyl)sulfanylmethyl]morpholine
CID 91583173
(2R)-2-[(R)-(2-fluorophenyl)-(2-methoxyphenyl)sulfanylmethyl]morpholine
CID 10248552
(2R)-2-[(2-ethylphenyl)sulfanyl-phenylmethyl]morpholine
CID 69432021
(2R)-2-[(S)-(2-methylphenoxy)-phenylmethyl]morpholine
CID 45101528
(2R)-2-[(R)-(2-chlorophenyl)sulfanyl-(3-fluorophenyl)methyl]morpholine
CID 58610144
2-[(2-methoxy-4-methylphenoxy)-phenylmethyl]morpholine
CID 68599939
(2S)-2-[[3-(4-fluorophenyl)-2-pyridinyl]sulfanyl-phenylmethyl]morpholine
CID 68822760
(2S)-2-[(S)-(3-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine
CID 68600973
2-[(2-methoxy-3-pyridinyl)oxy-phenylmethyl]morpholine
CID 68541459
2-[[2-(methoxymethyl)phenoxy]-phenylmethyl]morpholine
CID 11709415
(2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine;hydrochloride
CID 46178247
2-(1-phenylpropyl)morpholine
CID 70531832

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(S)-(2-methoxyphenyl)sulfanyl-phenylmethyl]morpholine?
The IUPAC name of (2S)-2-[(S)-(2-methoxyphenyl)sulfanyl-phenylmethyl]morpholine (CID 11594827) is (2S)-2-[(S)-(2-methoxyphenyl)sulfanyl-phenylmethyl]morpholine.
What is the SMILES notation for (2S)-2-[(S)-(2-methoxyphenyl)sulfanyl-phenylmethyl]morpholine?
The canonical SMILES for (2S)-2-[(S)-(2-methoxyphenyl)sulfanyl-phenylmethyl]morpholine is COc1ccccc1S[C@@H](c1ccccc1)[C@@H]1CNCCO1.
What is the InChIKey of (2S)-2-[(S)-(2-methoxyphenyl)sulfanyl-phenylmethyl]morpholine?
The InChIKey is VWKLNUPRXXIKKE-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-20-15-9-5-6-10-17(15)22-18(14-7-3-2-4-8-14)16-13-19-11-12-21-16/h2-10,16,18-19H,11-13H2,1H3/t16-,18-/m0/s1.
What are the key properties of (2S)-2-[(S)-(2-methoxyphenyl)sulfanyl-phenylmethyl]morpholine?
(2S)-2-[(S)-(2-methoxyphenyl)sulfanyl-phenylmethyl]morpholine has a molecular weight of 315.44 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(S)-(2-methoxyphenyl)sulfanyl-phenylmethyl]morpholine is sourced from PubChem (CID 11594827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).