2,6-dimethyl-4-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine

C17H22N2O5S3 — CID 2934606

IUPAC2,6-dimethyl-4-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine
SMILESCc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C17H22N2O5S3/c1-11-5-7-14(8-6-11)27(22,23)15-16(25-17(18-15)26(4,20)21)19-9-12(2)24-13(3)10-19/h5-8,12-13H,9-10H2,1-4H3
InChIKeyGSFKZGRGBSOFGS-UHFFFAOYSA-N
MW430.57 g/mol
LogP2.30
Rot. Bonds4

About 2,6-dimethyl-4-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine

2,6-dimethyl-4-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine (PubChem CID 2934606) has the molecular formula C17H22N2O5S3 and a molecular weight of 430.57 g/mol. Its IUPAC name is 2,6-dimethyl-4-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine
PubChem CID2934606
Molecular FormulaC17H22N2O5S3
Molecular Weight430.57 g/mol
Exact Mass430.07
IUPAC Name2,6-dimethyl-4-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine
SMILESCc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C17H22N2O5S3/c1-11-5-7-14(8-6-11)27(22,23)15-16(25-17(18-15)26(4,20)21)19-9-12(2)24-13(3)10-19/h5-8,12-13H,9-10H2,1-4H3
InChIKeyGSFKZGRGBSOFGS-UHFFFAOYSA-N
XLogP2.30
TPSA93.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine (CID 2934606) is 2,6-dimethyl-4-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine is Cc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2N2CC(C)OC(C)C2)cc1.
What is the InChIKey of 2,6-dimethyl-4-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine?
The InChIKey is GSFKZGRGBSOFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S3/c1-11-5-7-14(8-6-11)27(22,23)15-16(25-17(18-15)26(4,20)21)19-9-12(2)24-13(3)10-19/h5-8,12-13H,9-10H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine?
2,6-dimethyl-4-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine has a molecular weight of 430.57 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine is sourced from PubChem (CID 2934606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).