(6-ethylsulfanyl-3-pyridinyl)-[(2S)-2-phenylmorpholin-4-yl]methanone

C18H20N2O2S — CID 95326024

IUPAC(6-ethylsulfanyl-3-pyridinyl)-[(2S)-2-phenylmorpholin-4-yl]methanone
SMILESCCSc1ccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)cn1
InChIInChI=1S/C18H20N2O2S/c1-2-23-17-9-8-15(12-19-17)18(21)20-10-11-22-16(13-20)14-6-4-3-5-7-14/h3-9,12,16H,2,10-11,13H2,1H3/t16-/m1/s1
InChIKeyORBDJMKNORBKJQ-MRXNPFEDSA-N
MW328.44 g/mol
LogP3.41
Rot. Bonds4

About (6-ethylsulfanyl-3-pyridinyl)-[(2S)-2-phenylmorpholin-4-yl]methanone

(6-ethylsulfanyl-3-pyridinyl)-[(2S)-2-phenylmorpholin-4-yl]methanone (PubChem CID 95326024) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is (6-ethylsulfanyl-3-pyridinyl)-[(2S)-2-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(6-ethylsulfanyl-3-pyridinyl)-[(2S)-2-phenylmorpholin-4-yl]methanone
PubChem CID95326024
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name(6-ethylsulfanyl-3-pyridinyl)-[(2S)-2-phenylmorpholin-4-yl]methanone
SMILESCCSc1ccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)cn1
InChIInChI=1S/C18H20N2O2S/c1-2-23-17-9-8-15(12-19-17)18(21)20-10-11-22-16(13-20)14-6-4-3-5-7-14/h3-9,12,16H,2,10-11,13H2,1H3/t16-/m1/s1
InChIKeyORBDJMKNORBKJQ-MRXNPFEDSA-N
XLogP3.41
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-fluoro-3-pyridinyl)-(2-phenylmorpholin-4-yl)methanone
CID 63979909
(2-phenylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone
CID 84510718
(3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 16894714
[4-(4-methylpiperazin-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone
CID 131903363
[4-(5-methylpyrazol-1-yl)phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 31415549
[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 96556883
1-phenyl-3-[4-(2-phenylmorpholine-4-carbonyl)phenyl]urea
CID 71898747
[(2R)-2-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 31414918
N-[4-(2-phenylmorpholine-4-carbonyl)phenyl]benzamide
CID 42944919
[(2R)-2-phenylmorpholin-4-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 96558365
(2-methyl-4-propyl-1,3-thiazol-5-yl)-(2-phenylmorpholin-4-yl)methanone
CID 75489916
(4-methylphenyl)-[2-[(2R)-2-phenylmorpholine-4-carbonyl]phenyl]methanone
CID 35271482

Frequently Asked Questions

What is the IUPAC name of (6-ethylsulfanyl-3-pyridinyl)-[(2S)-2-phenylmorpholin-4-yl]methanone?
The IUPAC name of (6-ethylsulfanyl-3-pyridinyl)-[(2S)-2-phenylmorpholin-4-yl]methanone (CID 95326024) is (6-ethylsulfanyl-3-pyridinyl)-[(2S)-2-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for (6-ethylsulfanyl-3-pyridinyl)-[(2S)-2-phenylmorpholin-4-yl]methanone?
The canonical SMILES for (6-ethylsulfanyl-3-pyridinyl)-[(2S)-2-phenylmorpholin-4-yl]methanone is CCSc1ccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)cn1.
What is the InChIKey of (6-ethylsulfanyl-3-pyridinyl)-[(2S)-2-phenylmorpholin-4-yl]methanone?
The InChIKey is ORBDJMKNORBKJQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-2-23-17-9-8-15(12-19-17)18(21)20-10-11-22-16(13-20)14-6-4-3-5-7-14/h3-9,12,16H,2,10-11,13H2,1H3/t16-/m1/s1.
What are the key properties of (6-ethylsulfanyl-3-pyridinyl)-[(2S)-2-phenylmorpholin-4-yl]methanone?
(6-ethylsulfanyl-3-pyridinyl)-[(2S)-2-phenylmorpholin-4-yl]methanone has a molecular weight of 328.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethylsulfanyl-3-pyridinyl)-[(2S)-2-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 95326024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).