1-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]piperidin-4-ol

C16H20N2O5S3 — CID 20888669

IUPAC1-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]piperidin-4-ol
SMILESCc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2N2CCC(O)CC2)cc1
InChIInChI=1S/C16H20N2O5S3/c1-11-3-5-13(6-4-11)26(22,23)14-15(18-9-7-12(19)8-10-18)24-16(17-14)25(2,20)21/h3-6,12,19H,7-10H2,1-2H3
InChIKeyRBVRJVGXILHAJZ-UHFFFAOYSA-N
MW416.55 g/mol
LogP1.65
Rot. Bonds4

About 1-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]piperidin-4-ol

1-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]piperidin-4-ol (PubChem CID 20888669) has the molecular formula C16H20N2O5S3 and a molecular weight of 416.55 g/mol. Its IUPAC name is 1-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]piperidin-4-ol
PubChem CID20888669
Molecular FormulaC16H20N2O5S3
Molecular Weight416.55 g/mol
Exact Mass416.05
IUPAC Name1-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]piperidin-4-ol
SMILESCc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2N2CCC(O)CC2)cc1
InChIInChI=1S/C16H20N2O5S3/c1-11-3-5-13(6-4-11)26(22,23)14-15(18-9-7-12(19)8-10-18)24-16(17-14)25(2,20)21/h3-6,12,19H,7-10H2,1-2H3
InChIKeyRBVRJVGXILHAJZ-UHFFFAOYSA-N
XLogP1.65
TPSA104.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]piperidin-4-ol?
The IUPAC name of 1-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]piperidin-4-ol (CID 20888669) is 1-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]piperidin-4-ol.
What is the SMILES notation for 1-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]piperidin-4-ol?
The canonical SMILES for 1-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]piperidin-4-ol is Cc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2N2CCC(O)CC2)cc1.
What is the InChIKey of 1-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]piperidin-4-ol?
The InChIKey is RBVRJVGXILHAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S3/c1-11-3-5-13(6-4-11)26(22,23)14-15(18-9-7-12(19)8-10-18)24-16(17-14)25(2,20)21/h3-6,12,19H,7-10H2,1-2H3.
What are the key properties of 1-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]piperidin-4-ol?
1-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]piperidin-4-ol has a molecular weight of 416.55 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]piperidin-4-ol is sourced from PubChem (CID 20888669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).