3,5-ditert-butyl-4-propan-2-ylthiomorpholine

C15H31NS — CID 59617055

IUPAC3,5-ditert-butyl-4-propan-2-ylthiomorpholine
SMILESCC(C)N1C(C(C)(C)C)CSCC1C(C)(C)C
InChIInChI=1S/C15H31NS/c1-11(2)16-12(14(3,4)5)9-17-10-13(16)15(6,7)8/h11-13H,9-10H2,1-8H3
InChIKeySQHCHNDVGYEIRY-UHFFFAOYSA-N
MW257.49 g/mol
LogP4.27
Rot. Bonds1

About 3,5-ditert-butyl-4-propan-2-ylthiomorpholine

3,5-ditert-butyl-4-propan-2-ylthiomorpholine (PubChem CID 59617055) has the molecular formula C15H31NS and a molecular weight of 257.49 g/mol. Its IUPAC name is 3,5-ditert-butyl-4-propan-2-ylthiomorpholine.

Molecular Properties

Compound Name3,5-ditert-butyl-4-propan-2-ylthiomorpholine
PubChem CID59617055
Molecular FormulaC15H31NS
Molecular Weight257.49 g/mol
Exact Mass257.22
IUPAC Name3,5-ditert-butyl-4-propan-2-ylthiomorpholine
SMILESCC(C)N1C(C(C)(C)C)CSCC1C(C)(C)C
InChIInChI=1S/C15H31NS/c1-11(2)16-12(14(3,4)5)9-17-10-13(16)15(6,7)8/h11-13H,9-10H2,1-8H3
InChIKeySQHCHNDVGYEIRY-UHFFFAOYSA-N
XLogP4.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.49
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,5-ditert-butyl-4-propan-2-ylthiomorpholine 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 3,5-ditert-butyl-4-propan-2-ylthiomorpholine?
The IUPAC name of 3,5-ditert-butyl-4-propan-2-ylthiomorpholine (CID 59617055) is 3,5-ditert-butyl-4-propan-2-ylthiomorpholine.
What is the SMILES notation for 3,5-ditert-butyl-4-propan-2-ylthiomorpholine?
The canonical SMILES for 3,5-ditert-butyl-4-propan-2-ylthiomorpholine is CC(C)N1C(C(C)(C)C)CSCC1C(C)(C)C.
What is the InChIKey of 3,5-ditert-butyl-4-propan-2-ylthiomorpholine?
The InChIKey is SQHCHNDVGYEIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NS/c1-11(2)16-12(14(3,4)5)9-17-10-13(16)15(6,7)8/h11-13H,9-10H2,1-8H3.
What are the key properties of 3,5-ditert-butyl-4-propan-2-ylthiomorpholine?
3,5-ditert-butyl-4-propan-2-ylthiomorpholine has a molecular weight of 257.49 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-4-propan-2-ylthiomorpholine is sourced from PubChem (CID 59617055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).