4-ethylsulfonyl-3-(2-methyl-1,3-thiazol-4-yl)morpholine

C10H16N2O3S2 — CID 131638855

IUPAC4-ethylsulfonyl-3-(2-methyl-1,3-thiazol-4-yl)morpholine
SMILESCCS(=O)(=O)N1CCOCC1c1csc(C)n1
InChIInChI=1S/C10H16N2O3S2/c1-3-17(13,14)12-4-5-15-6-10(12)9-7-16-8(2)11-9/h7,10H,3-6H2,1-2H3
InChIKeyJRUOUQKYKWCIPT-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.17
Rot. Bonds3

About 4-ethylsulfonyl-3-(2-methyl-1,3-thiazol-4-yl)morpholine

4-ethylsulfonyl-3-(2-methyl-1,3-thiazol-4-yl)morpholine (PubChem CID 131638855) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-ethylsulfonyl-3-(2-methyl-1,3-thiazol-4-yl)morpholine.

Molecular Properties

Compound Name4-ethylsulfonyl-3-(2-methyl-1,3-thiazol-4-yl)morpholine
PubChem CID131638855
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC Name4-ethylsulfonyl-3-(2-methyl-1,3-thiazol-4-yl)morpholine
SMILESCCS(=O)(=O)N1CCOCC1c1csc(C)n1
InChIInChI=1S/C10H16N2O3S2/c1-3-17(13,14)12-4-5-15-6-10(12)9-7-16-8(2)11-9/h7,10H,3-6H2,1-2H3
InChIKeyJRUOUQKYKWCIPT-UHFFFAOYSA-N
XLogP1.17
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 96053157
N-[(2-Propyl-1,3-thiazol-4-YL)methyl]morpholine-4-sulfonamide
CID 122556075
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-sulfonamide
CID 131942873
(3R)-3-cyclopropyl-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]morpholine
CID 164630336
3-[2-[2-(2,2-Difluoroethoxy)ethyl]-1,3-thiazol-4-yl]morpholine
CID 103151364
2-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 45913876
N,N-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)morpholine-4-sulfonamide
CID 131644316
2-Ethoxy-1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]ethanone
CID 131650772
4-[4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylmorpholine
CID 45872252
2-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine;hydrochloride
CID 45913875
4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-3-methylmorpholine
CID 51078379
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 51963789

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-3-(2-methyl-1,3-thiazol-4-yl)morpholine?
The IUPAC name of 4-ethylsulfonyl-3-(2-methyl-1,3-thiazol-4-yl)morpholine (CID 131638855) is 4-ethylsulfonyl-3-(2-methyl-1,3-thiazol-4-yl)morpholine.
What is the SMILES notation for 4-ethylsulfonyl-3-(2-methyl-1,3-thiazol-4-yl)morpholine?
The canonical SMILES for 4-ethylsulfonyl-3-(2-methyl-1,3-thiazol-4-yl)morpholine is CCS(=O)(=O)N1CCOCC1c1csc(C)n1.
What is the InChIKey of 4-ethylsulfonyl-3-(2-methyl-1,3-thiazol-4-yl)morpholine?
The InChIKey is JRUOUQKYKWCIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-3-17(13,14)12-4-5-15-6-10(12)9-7-16-8(2)11-9/h7,10H,3-6H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-3-(2-methyl-1,3-thiazol-4-yl)morpholine?
4-ethylsulfonyl-3-(2-methyl-1,3-thiazol-4-yl)morpholine has a molecular weight of 276.38 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-3-(2-methyl-1,3-thiazol-4-yl)morpholine is sourced from PubChem (CID 131638855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).