2-tert-butylsulfanyl-N-(2-piperidin-4-yloxyethyl)acetamide

C13H26N2O2S — CID 55251411

IUPAC2-tert-butylsulfanyl-N-(2-piperidin-4-yloxyethyl)acetamide
SMILESCC(C)(C)SCC(=O)NCCOC1CCNCC1
InChIInChI=1S/C13H26N2O2S/c1-13(2,3)18-10-12(16)15-8-9-17-11-4-6-14-7-5-11/h11,14H,4-10H2,1-3H3,(H,15,16)
InChIKeyVFPJLCAJSGQEDK-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.40
Rot. Bonds6

About 2-tert-butylsulfanyl-N-(2-piperidin-4-yloxyethyl)acetamide

2-tert-butylsulfanyl-N-(2-piperidin-4-yloxyethyl)acetamide (PubChem CID 55251411) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-(2-piperidin-4-yloxyethyl)acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-(2-piperidin-4-yloxyethyl)acetamide
PubChem CID55251411
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name2-tert-butylsulfanyl-N-(2-piperidin-4-yloxyethyl)acetamide
SMILESCC(C)(C)SCC(=O)NCCOC1CCNCC1
InChIInChI=1S/C13H26N2O2S/c1-13(2,3)18-10-12(16)15-8-9-17-11-4-6-14-7-5-11/h11,14H,4-10H2,1-3H3,(H,15,16)
InChIKeyVFPJLCAJSGQEDK-UHFFFAOYSA-N
XLogP1.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-(2-piperidin-4-yloxyethyl)acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-(2-piperidin-4-yloxyethyl)acetamide (CID 55251411) is 2-tert-butylsulfanyl-N-(2-piperidin-4-yloxyethyl)acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-(2-piperidin-4-yloxyethyl)acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-(2-piperidin-4-yloxyethyl)acetamide is CC(C)(C)SCC(=O)NCCOC1CCNCC1.
What is the InChIKey of 2-tert-butylsulfanyl-N-(2-piperidin-4-yloxyethyl)acetamide?
The InChIKey is VFPJLCAJSGQEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-13(2,3)18-10-12(16)15-8-9-17-11-4-6-14-7-5-11/h11,14H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 2-tert-butylsulfanyl-N-(2-piperidin-4-yloxyethyl)acetamide?
2-tert-butylsulfanyl-N-(2-piperidin-4-yloxyethyl)acetamide has a molecular weight of 274.43 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-(2-piperidin-4-yloxyethyl)acetamide is sourced from PubChem (CID 55251411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).