4-[[6-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]morpholine

C17H19ClN2O3S2 — CID 7774902

IUPAC4-[[6-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]morpholine
SMILESC[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccccc1Cl
InChIInChI=1S/C17H19ClN2O3S2/c1-13(15-4-2-3-5-16(15)18)24-17-7-6-14(12-19-17)25(21,22)20-8-10-23-11-9-20/h2-7,12-13H,8-11H2,1H3/t13-/m0/s1
InChIKeyLXIUZOJAQUOPMP-ZDUSSCGKSA-N
MW398.94 g/mol
LogP3.61
Rot. Bonds5

About 4-[[6-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]morpholine

4-[[6-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]morpholine (PubChem CID 7774902) has the molecular formula C17H19ClN2O3S2 and a molecular weight of 398.94 g/mol. Its IUPAC name is 4-[[6-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[6-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]morpholine
PubChem CID7774902
Molecular FormulaC17H19ClN2O3S2
Molecular Weight398.94 g/mol
Exact Mass398.05
IUPAC Name4-[[6-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]morpholine
SMILESC[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccccc1Cl
InChIInChI=1S/C17H19ClN2O3S2/c1-13(15-4-2-3-5-16(15)18)24-17-7-6-14(12-19-17)25(21,22)20-8-10-23-11-9-20/h2-7,12-13H,8-11H2,1H3/t13-/m0/s1
InChIKeyLXIUZOJAQUOPMP-ZDUSSCGKSA-N
XLogP3.61
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[6-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]morpholine
CID 28565686
4-[[6-[(2-chlorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 17390596
ethyl (2S)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanoate
CID 52511353
(2R)-N-benzhydryl-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 40919685
(2S)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylbutyl]propanamide
CID 41361926
(2S)-1-(4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one
CID 38974194
N-(2,6-difluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46617051
2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 7774852
(2S)-1-(1H-indol-3-yl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one
CID 41103443
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 8700706
N-(3-chloro-4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46629867
N,N-bis(2-methylpropyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 55377579

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]morpholine?
The IUPAC name of 4-[[6-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]morpholine (CID 7774902) is 4-[[6-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[6-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]morpholine?
The canonical SMILES for 4-[[6-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]morpholine is C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccccc1Cl.
What is the InChIKey of 4-[[6-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]morpholine?
The InChIKey is LXIUZOJAQUOPMP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19ClN2O3S2/c1-13(15-4-2-3-5-16(15)18)24-17-7-6-14(12-19-17)25(21,22)20-8-10-23-11-9-20/h2-7,12-13H,8-11H2,1H3/t13-/m0/s1.
What are the key properties of 4-[[6-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]morpholine?
4-[[6-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]morpholine has a molecular weight of 398.94 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]morpholine is sourced from PubChem (CID 7774902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).