1-tert-butyl-4-[(3-ethyl-3-methylsulfanylazetidin-1-yl)methyl]piperidine

C16H32N2S — CID 156551283

IUPAC1-tert-butyl-4-[(3-ethyl-3-methylsulfanylazetidin-1-yl)methyl]piperidine
SMILESCCC1(SC)CN(CC2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C16H32N2S/c1-6-16(19-5)12-17(13-16)11-14-7-9-18(10-8-14)15(2,3)4/h14H,6-13H2,1-5H3
InChIKeyPAWPHPSRODTKKZ-UHFFFAOYSA-N
MW284.51 g/mol
LogP3.32
Rot. Bonds4

About 1-tert-butyl-4-[(3-ethyl-3-methylsulfanylazetidin-1-yl)methyl]piperidine

1-tert-butyl-4-[(3-ethyl-3-methylsulfanylazetidin-1-yl)methyl]piperidine (PubChem CID 156551283) has the molecular formula C16H32N2S and a molecular weight of 284.51 g/mol. Its IUPAC name is 1-tert-butyl-4-[(3-ethyl-3-methylsulfanylazetidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-[(3-ethyl-3-methylsulfanylazetidin-1-yl)methyl]piperidine
PubChem CID156551283
Molecular FormulaC16H32N2S
Molecular Weight284.51 g/mol
Exact Mass284.23
IUPAC Name1-tert-butyl-4-[(3-ethyl-3-methylsulfanylazetidin-1-yl)methyl]piperidine
SMILESCCC1(SC)CN(CC2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C16H32N2S/c1-6-16(19-5)12-17(13-16)11-14-7-9-18(10-8-14)15(2,3)4/h14H,6-13H2,1-5H3
InChIKeyPAWPHPSRODTKKZ-UHFFFAOYSA-N
XLogP3.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.51
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-tert-butyl-4-[(3-ethyl-3-methylsulfanylazetidin-1-yl)methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(3-ethyl-3-methylsulfanylazetidin-1-yl)methyl]piperidine?
The IUPAC name of 1-tert-butyl-4-[(3-ethyl-3-methylsulfanylazetidin-1-yl)methyl]piperidine (CID 156551283) is 1-tert-butyl-4-[(3-ethyl-3-methylsulfanylazetidin-1-yl)methyl]piperidine.
What is the SMILES notation for 1-tert-butyl-4-[(3-ethyl-3-methylsulfanylazetidin-1-yl)methyl]piperidine?
The canonical SMILES for 1-tert-butyl-4-[(3-ethyl-3-methylsulfanylazetidin-1-yl)methyl]piperidine is CCC1(SC)CN(CC2CCN(C(C)(C)C)CC2)C1.
What is the InChIKey of 1-tert-butyl-4-[(3-ethyl-3-methylsulfanylazetidin-1-yl)methyl]piperidine?
The InChIKey is PAWPHPSRODTKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2S/c1-6-16(19-5)12-17(13-16)11-14-7-9-18(10-8-14)15(2,3)4/h14H,6-13H2,1-5H3.
What are the key properties of 1-tert-butyl-4-[(3-ethyl-3-methylsulfanylazetidin-1-yl)methyl]piperidine?
1-tert-butyl-4-[(3-ethyl-3-methylsulfanylazetidin-1-yl)methyl]piperidine has a molecular weight of 284.51 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(3-ethyl-3-methylsulfanylazetidin-1-yl)methyl]piperidine is sourced from PubChem (CID 156551283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).