2-tert-butylsulfanyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone

C16H28N2O3S — CID 78785482

IUPAC2-tert-butylsulfanyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
SMILESCC(C)(C)SCC(=O)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H28N2O3S/c1-16(2,3)22-12-14(19)17-6-4-13(5-7-17)15(20)18-8-10-21-11-9-18/h13H,4-12H2,1-3H3
InChIKeyZXQKQJRYDLTGFX-UHFFFAOYSA-N
MW328.48 g/mol
LogP1.62
Rot. Bonds3

About 2-tert-butylsulfanyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone

2-tert-butylsulfanyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone (PubChem CID 78785482) has the molecular formula C16H28N2O3S and a molecular weight of 328.48 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-tert-butylsulfanyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
PubChem CID78785482
Molecular FormulaC16H28N2O3S
Molecular Weight328.48 g/mol
Exact Mass328.18
IUPAC Name2-tert-butylsulfanyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
SMILESCC(C)(C)SCC(=O)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H28N2O3S/c1-16(2,3)22-12-14(19)17-6-4-13(5-7-17)15(20)18-8-10-21-11-9-18/h13H,4-12H2,1-3H3
InChIKeyZXQKQJRYDLTGFX-UHFFFAOYSA-N
XLogP1.62
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-tert-butylsulfanyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone (CID 78785482) is 2-tert-butylsulfanyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-tert-butylsulfanyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-tert-butylsulfanyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone is CC(C)(C)SCC(=O)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-tert-butylsulfanyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is ZXQKQJRYDLTGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3S/c1-16(2,3)22-12-14(19)17-6-4-13(5-7-17)15(20)18-8-10-21-11-9-18/h13H,4-12H2,1-3H3.
What are the key properties of 2-tert-butylsulfanyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
2-tert-butylsulfanyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 328.48 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 78785482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).