(2S)-4-[2-[(R)-phenylsulfinyl]ethyl]-2-(pyrazol-1-ylmethyl)morpholine

C16H21N3O2S — CID 95295560

IUPAC(2S)-4-[2-[(R)-phenylsulfinyl]ethyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESO=[S@](CCN1CCO[C@H](Cn2cccn2)C1)c1ccccc1
InChIInChI=1S/C16H21N3O2S/c20-22(16-5-2-1-3-6-16)12-10-18-9-11-21-15(13-18)14-19-8-4-7-17-19/h1-8,15H,9-14H2/t15-,22+/m0/s1
InChIKeyJRZMMLVXWCKWRV-OYHNWAKOSA-N
MW319.43 g/mol
LogP1.39
Rot. Bonds6

About (2S)-4-[2-[(R)-phenylsulfinyl]ethyl]-2-(pyrazol-1-ylmethyl)morpholine

(2S)-4-[2-[(R)-phenylsulfinyl]ethyl]-2-(pyrazol-1-ylmethyl)morpholine (PubChem CID 95295560) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is (2S)-4-[2-[(R)-phenylsulfinyl]ethyl]-2-(pyrazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[2-[(R)-phenylsulfinyl]ethyl]-2-(pyrazol-1-ylmethyl)morpholine
PubChem CID95295560
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name(2S)-4-[2-[(R)-phenylsulfinyl]ethyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESO=[S@](CCN1CCO[C@H](Cn2cccn2)C1)c1ccccc1
InChIInChI=1S/C16H21N3O2S/c20-22(16-5-2-1-3-6-16)12-10-18-9-11-21-15(13-18)14-19-8-4-7-17-19/h1-8,15H,9-14H2/t15-,22+/m0/s1
InChIKeyJRZMMLVXWCKWRV-OYHNWAKOSA-N
XLogP1.39
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100841955
(1S)-1-phenyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 100841885
(2R)-4-[(Z)-3-phenylprop-2-enyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 98172915
(2S)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95277519
(2R)-4-[(1-phenyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95280498
(2S)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95279128
(2S)-4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95281618
4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile
CID 95277532
2-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-benzoxazole
CID 95279147
3-[2-[2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]ethyl]-1,3-benzoxazol-2-one
CID 77094773
4-[(2-chloro-5-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 122150903
1,3-dimethyl-6-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]pyrimidine-2,4-dione
CID 95279155

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-[(R)-phenylsulfinyl]ethyl]-2-(pyrazol-1-ylmethyl)morpholine?
The IUPAC name of (2S)-4-[2-[(R)-phenylsulfinyl]ethyl]-2-(pyrazol-1-ylmethyl)morpholine (CID 95295560) is (2S)-4-[2-[(R)-phenylsulfinyl]ethyl]-2-(pyrazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2S)-4-[2-[(R)-phenylsulfinyl]ethyl]-2-(pyrazol-1-ylmethyl)morpholine?
The canonical SMILES for (2S)-4-[2-[(R)-phenylsulfinyl]ethyl]-2-(pyrazol-1-ylmethyl)morpholine is O=[S@](CCN1CCO[C@H](Cn2cccn2)C1)c1ccccc1.
What is the InChIKey of (2S)-4-[2-[(R)-phenylsulfinyl]ethyl]-2-(pyrazol-1-ylmethyl)morpholine?
The InChIKey is JRZMMLVXWCKWRV-OYHNWAKOSA-N. The full InChI is InChI=1S/C16H21N3O2S/c20-22(16-5-2-1-3-6-16)12-10-18-9-11-21-15(13-18)14-19-8-4-7-17-19/h1-8,15H,9-14H2/t15-,22+/m0/s1.
What are the key properties of (2S)-4-[2-[(R)-phenylsulfinyl]ethyl]-2-(pyrazol-1-ylmethyl)morpholine?
(2S)-4-[2-[(R)-phenylsulfinyl]ethyl]-2-(pyrazol-1-ylmethyl)morpholine has a molecular weight of 319.43 g/mol, XLogP of 1.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-[(R)-phenylsulfinyl]ethyl]-2-(pyrazol-1-ylmethyl)morpholine is sourced from PubChem (CID 95295560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).