4-ethylsulfonyl-2-(4-methoxyphenyl)thiomorpholine

C13H19NO3S2 — CID 110673060

IUPAC4-ethylsulfonyl-2-(4-methoxyphenyl)thiomorpholine
SMILESCCS(=O)(=O)N1CCSC(c2ccc(OC)cc2)C1
InChIInChI=1S/C13H19NO3S2/c1-3-19(15,16)14-8-9-18-13(10-14)11-4-6-12(17-2)7-5-11/h4-7,13H,3,8-10H2,1-2H3
InChIKeyZMBNNZXLUUBURR-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.13
Rot. Bonds4

About 4-ethylsulfonyl-2-(4-methoxyphenyl)thiomorpholine

4-ethylsulfonyl-2-(4-methoxyphenyl)thiomorpholine (PubChem CID 110673060) has the molecular formula C13H19NO3S2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 4-ethylsulfonyl-2-(4-methoxyphenyl)thiomorpholine.

Molecular Properties

Compound Name4-ethylsulfonyl-2-(4-methoxyphenyl)thiomorpholine
PubChem CID110673060
Molecular FormulaC13H19NO3S2
Molecular Weight301.43 g/mol
Exact Mass301.08
IUPAC Name4-ethylsulfonyl-2-(4-methoxyphenyl)thiomorpholine
SMILESCCS(=O)(=O)N1CCSC(c2ccc(OC)cc2)C1
InChIInChI=1S/C13H19NO3S2/c1-3-19(15,16)14-8-9-18-13(10-14)11-4-6-12(17-2)7-5-11/h4-7,13H,3,8-10H2,1-2H3
InChIKeyZMBNNZXLUUBURR-UHFFFAOYSA-N
XLogP2.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-butylsulfonyl-2-phenylthiomorpholine
CID 110711376
4-ethylsulfonyl-7-phenyl-1,4-thiazepane
CID 90629593
cyclobutyl-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone
CID 110673048
4-(2,5-dimethoxyphenyl)sulfonyl-7-phenyl-1,4-thiazepane
CID 90629604
[3-(dimethylamino)phenyl]-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone
CID 110673004
(2S,3R)-1,4-diethyl-2,3-bis(4-methoxyphenyl)piperazine
CID 11013665
4-ethylsulfonyl-2-(4-methoxyphenyl)-5-methylmorpholine
CID 110369636
2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 2858670
(3S)-3-(4-methoxyphenyl)-1-(3,3,3-trifluoropropylsulfonyl)azepane
CID 100713738
2-(4-methoxyphenyl)-1,3-dithiolane
CID 23175
3-(4-methoxyphenyl)-4-propylsulfonylpiperazin-2-one
CID 110644975
4-[(2R)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline
CID 1373902

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-2-(4-methoxyphenyl)thiomorpholine?
The IUPAC name of 4-ethylsulfonyl-2-(4-methoxyphenyl)thiomorpholine (CID 110673060) is 4-ethylsulfonyl-2-(4-methoxyphenyl)thiomorpholine.
What is the SMILES notation for 4-ethylsulfonyl-2-(4-methoxyphenyl)thiomorpholine?
The canonical SMILES for 4-ethylsulfonyl-2-(4-methoxyphenyl)thiomorpholine is CCS(=O)(=O)N1CCSC(c2ccc(OC)cc2)C1.
What is the InChIKey of 4-ethylsulfonyl-2-(4-methoxyphenyl)thiomorpholine?
The InChIKey is ZMBNNZXLUUBURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S2/c1-3-19(15,16)14-8-9-18-13(10-14)11-4-6-12(17-2)7-5-11/h4-7,13H,3,8-10H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-2-(4-methoxyphenyl)thiomorpholine?
4-ethylsulfonyl-2-(4-methoxyphenyl)thiomorpholine has a molecular weight of 301.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-2-(4-methoxyphenyl)thiomorpholine is sourced from PubChem (CID 110673060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).