2-[1-(1-propan-2-ylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole

C16H27N3O3S2 — CID 90617934

IUPAC2-[1-(1-propan-2-ylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole
SMILESCC(C)S(=O)(=O)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
InChIInChI=1S/C16H27N3O3S2/c1-13(2)24(20,21)19-10-3-14(4-11-19)18-8-5-15(6-9-18)22-16-17-7-12-23-16/h7,12-15H,3-6,8-11H2,1-2H3
InChIKeyUXIRAAXXIHQHJE-UHFFFAOYSA-N
MW373.54 g/mol
LogP2.19
Rot. Bonds5

About 2-[1-(1-propan-2-ylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole

2-[1-(1-propan-2-ylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole (PubChem CID 90617934) has the molecular formula C16H27N3O3S2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 2-[1-(1-propan-2-ylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(1-propan-2-ylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole
PubChem CID90617934
Molecular FormulaC16H27N3O3S2
Molecular Weight373.54 g/mol
Exact Mass373.15
IUPAC Name2-[1-(1-propan-2-ylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole
SMILESCC(C)S(=O)(=O)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
InChIInChI=1S/C16H27N3O3S2/c1-13(2)24(20,21)19-10-3-14(4-11-19)18-8-5-15(6-9-18)22-16-17-7-12-23-16/h7,12-15H,3-6,8-11H2,1-2H3
InChIKeyUXIRAAXXIHQHJE-UHFFFAOYSA-N
XLogP2.19
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-propan-2-ylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole?
The IUPAC name of 2-[1-(1-propan-2-ylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole (CID 90617934) is 2-[1-(1-propan-2-ylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole.
What is the SMILES notation for 2-[1-(1-propan-2-ylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole?
The canonical SMILES for 2-[1-(1-propan-2-ylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole is CC(C)S(=O)(=O)N1CCC(N2CCC(Oc3nccs3)CC2)CC1.
What is the InChIKey of 2-[1-(1-propan-2-ylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole?
The InChIKey is UXIRAAXXIHQHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S2/c1-13(2)24(20,21)19-10-3-14(4-11-19)18-8-5-15(6-9-18)22-16-17-7-12-23-16/h7,12-15H,3-6,8-11H2,1-2H3.
What are the key properties of 2-[1-(1-propan-2-ylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole?
2-[1-(1-propan-2-ylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole has a molecular weight of 373.54 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-propan-2-ylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole is sourced from PubChem (CID 90617934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).