4-[2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]-2,6-dimethylmorpholine

C18H24N2O5S3 — CID 20888749

IUPAC4-[2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]-2,6-dimethylmorpholine
SMILESCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CC(C)OC(C)C2)s1
InChIInChI=1S/C18H24N2O5S3/c1-5-27(21,22)18-19-16(28(23,24)15-8-6-12(2)7-9-15)17(26-18)20-10-13(3)25-14(4)11-20/h6-9,13-14H,5,10-11H2,1-4H3
InChIKeyNXXZBCDIJZJWGE-UHFFFAOYSA-N
MW444.60 g/mol
LogP2.69
Rot. Bonds5

About 4-[2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]-2,6-dimethylmorpholine

4-[2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]-2,6-dimethylmorpholine (PubChem CID 20888749) has the molecular formula C18H24N2O5S3 and a molecular weight of 444.60 g/mol. Its IUPAC name is 4-[2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]-2,6-dimethylmorpholine
PubChem CID20888749
Molecular FormulaC18H24N2O5S3
Molecular Weight444.60 g/mol
Exact Mass444.08
IUPAC Name4-[2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]-2,6-dimethylmorpholine
SMILESCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CC(C)OC(C)C2)s1
InChIInChI=1S/C18H24N2O5S3/c1-5-27(21,22)18-19-16(28(23,24)15-8-6-12(2)7-9-15)17(26-18)20-10-13(3)25-14(4)11-20/h6-9,13-14H,5,10-11H2,1-4H3
InChIKeyNXXZBCDIJZJWGE-UHFFFAOYSA-N
XLogP2.69
TPSA93.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-dimethyl-2-(methylsulfonyl)-4-tosylthiazol-5-amine
CID 1295310
4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-N-(oxolan-2-ylmethyl)-1,3-thiazol-5-amine
CID 2934240
4-[(4-Methylphenyl)sulfonyl]-5-[(2-morpholin-4-ylethyl)amino]-2-(propylsulfony l)-1,3-thiazole
CID 2934572
N,N-diethyl-2-(propylsulfonyl)-4-tosylthiazol-5-amine
CID 16011584
5-{[3-(Methylethoxy)propyl]amino}-4-[(4-methylphenyl)sulfonyl]-2-(phenylsulfon yl)-1,3-thiazole
CID 16013930
N,N-dimethyl-N'-[4-[(4-methylphenyl)sulfonyl]-2-(propylsulfonyl)-1,3-thiazol-5-yl]propane-1,3-diamine
CID 16193574
4-[(4-methylphenyl)sulfonyl]-N-propyl-2-(propylsulfonyl)-1,3-thiazol-5-amine
CID 16195607
1-(2-(Methylsulfonyl)-4-tosylthiazol-5-yl)piperidin-4-ol
CID 20888669
5-(4-Ethylpiperazin-1-yl)-2-(methylsulfonyl)-4-tosylthiazole
CID 20888672
1-{2-(Ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}azepane
CID 20888740
1-{2-(Ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}piperidin-4-ol
CID 20888745
1-{2-(Ethylsulfonyl)-4-[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}-4-methylpiperazine
CID 20888750

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]-2,6-dimethylmorpholine (CID 20888749) is 4-[2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]-2,6-dimethylmorpholine is CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CC(C)OC(C)C2)s1.
What is the InChIKey of 4-[2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]-2,6-dimethylmorpholine?
The InChIKey is NXXZBCDIJZJWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S3/c1-5-27(21,22)18-19-16(28(23,24)15-8-6-12(2)7-9-15)17(26-18)20-10-13(3)25-14(4)11-20/h6-9,13-14H,5,10-11H2,1-4H3.
What are the key properties of 4-[2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]-2,6-dimethylmorpholine?
4-[2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]-2,6-dimethylmorpholine has a molecular weight of 444.60 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 20888749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).