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

C17H22N2O5S3 — CID 1295431

IUPAC4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]morpholine
SMILESCCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CCOCC2)s1
InChIInChI=1S/C17H22N2O5S3/c1-3-12-26(20,21)17-18-15(16(25-17)19-8-10-24-11-9-19)27(22,23)14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3
InChIKeyDWUAKKDFOXCGAO-UHFFFAOYSA-N
MW430.57 g/mol
LogP2.30
Rot. Bonds6

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

4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]morpholine (PubChem CID 1295431) has the molecular formula C17H22N2O5S3 and a molecular weight of 430.57 g/mol. Its IUPAC name is 4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]morpholine
PubChem CID1295431
Molecular FormulaC17H22N2O5S3
Molecular Weight430.57 g/mol
Exact Mass430.07
IUPAC Name4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]morpholine
SMILESCCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CCOCC2)s1
InChIInChI=1S/C17H22N2O5S3/c1-3-12-26(20,21)17-18-15(16(25-17)19-8-10-24-11-9-19)27(22,23)14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3
InChIKeyDWUAKKDFOXCGAO-UHFFFAOYSA-N
XLogP2.30
TPSA93.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
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 4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]morpholine?
The IUPAC name of 4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]morpholine (CID 1295431) is 4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]morpholine.
What is the SMILES notation for 4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]morpholine?
The canonical SMILES for 4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]morpholine is CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CCOCC2)s1.
What is the InChIKey of 4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]morpholine?
The InChIKey is DWUAKKDFOXCGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S3/c1-3-12-26(20,21)17-18-15(16(25-17)19-8-10-24-11-9-19)27(22,23)14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3.
What are the key properties of 4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]morpholine?
4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]morpholine has a molecular weight of 430.57 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]morpholine is sourced from PubChem (CID 1295431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).