4-tert-butyl-2-(2-methyl-2-piperazin-1-ylpropyl)thiomorpholine

C16H33N3S — CID 155260600

IUPAC4-tert-butyl-2-(2-methyl-2-piperazin-1-ylpropyl)thiomorpholine
SMILESCC(C)(C)N1CCSC(CC(C)(C)N2CCNCC2)C1
InChIInChI=1S/C16H33N3S/c1-15(2,3)19-10-11-20-14(13-19)12-16(4,5)18-8-6-17-7-9-18/h14,17H,6-13H2,1-5H3
InChIKeyJADSUCPMEFKGNH-UHFFFAOYSA-N
MW299.53 g/mol
LogP2.28
Rot. Bonds3

About 4-tert-butyl-2-(2-methyl-2-piperazin-1-ylpropyl)thiomorpholine

4-tert-butyl-2-(2-methyl-2-piperazin-1-ylpropyl)thiomorpholine (PubChem CID 155260600) has the molecular formula C16H33N3S and a molecular weight of 299.53 g/mol. Its IUPAC name is 4-tert-butyl-2-(2-methyl-2-piperazin-1-ylpropyl)thiomorpholine.

Molecular Properties

Compound Name4-tert-butyl-2-(2-methyl-2-piperazin-1-ylpropyl)thiomorpholine
PubChem CID155260600
Molecular FormulaC16H33N3S
Molecular Weight299.53 g/mol
Exact Mass299.24
IUPAC Name4-tert-butyl-2-(2-methyl-2-piperazin-1-ylpropyl)thiomorpholine
SMILESCC(C)(C)N1CCSC(CC(C)(C)N2CCNCC2)C1
InChIInChI=1S/C16H33N3S/c1-15(2,3)19-10-11-20-14(13-19)12-16(4,5)18-8-6-17-7-9-18/h14,17H,6-13H2,1-5H3
InChIKeyJADSUCPMEFKGNH-UHFFFAOYSA-N
XLogP2.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.53
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2-methyl-2-piperazin-1-ylpropyl)thiomorpholine?
The IUPAC name of 4-tert-butyl-2-(2-methyl-2-piperazin-1-ylpropyl)thiomorpholine (CID 155260600) is 4-tert-butyl-2-(2-methyl-2-piperazin-1-ylpropyl)thiomorpholine.
What is the SMILES notation for 4-tert-butyl-2-(2-methyl-2-piperazin-1-ylpropyl)thiomorpholine?
The canonical SMILES for 4-tert-butyl-2-(2-methyl-2-piperazin-1-ylpropyl)thiomorpholine is CC(C)(C)N1CCSC(CC(C)(C)N2CCNCC2)C1.
What is the InChIKey of 4-tert-butyl-2-(2-methyl-2-piperazin-1-ylpropyl)thiomorpholine?
The InChIKey is JADSUCPMEFKGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3S/c1-15(2,3)19-10-11-20-14(13-19)12-16(4,5)18-8-6-17-7-9-18/h14,17H,6-13H2,1-5H3.
What are the key properties of 4-tert-butyl-2-(2-methyl-2-piperazin-1-ylpropyl)thiomorpholine?
4-tert-butyl-2-(2-methyl-2-piperazin-1-ylpropyl)thiomorpholine has a molecular weight of 299.53 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2-methyl-2-piperazin-1-ylpropyl)thiomorpholine is sourced from PubChem (CID 155260600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).