3,4-ditert-butylthiomorpholine

C12H25NS — CID 59918152

IUPAC3,4-ditert-butylthiomorpholine
SMILESCC(C)(C)C1CSCCN1C(C)(C)C
InChIInChI=1S/C12H25NS/c1-11(2,3)10-9-14-8-7-13(10)12(4,5)6/h10H,7-9H2,1-6H3
InChIKeyDNZBWAOOGPKHQI-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.25
Rot. Bonds

About 3,4-ditert-butylthiomorpholine

3,4-ditert-butylthiomorpholine (PubChem CID 59918152) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 3,4-ditert-butylthiomorpholine.

Molecular Properties

Compound Name3,4-ditert-butylthiomorpholine
PubChem CID59918152
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name3,4-ditert-butylthiomorpholine
SMILESCC(C)(C)C1CSCCN1C(C)(C)C
InChIInChI=1S/C12H25NS/c1-11(2,3)10-9-14-8-7-13(10)12(4,5)6/h10H,7-9H2,1-6H3
InChIKeyDNZBWAOOGPKHQI-UHFFFAOYSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butylthiomorpholine?
The IUPAC name of 3,4-ditert-butylthiomorpholine (CID 59918152) is 3,4-ditert-butylthiomorpholine.
What is the SMILES notation for 3,4-ditert-butylthiomorpholine?
The canonical SMILES for 3,4-ditert-butylthiomorpholine is CC(C)(C)C1CSCCN1C(C)(C)C.
What is the InChIKey of 3,4-ditert-butylthiomorpholine?
The InChIKey is DNZBWAOOGPKHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-11(2,3)10-9-14-8-7-13(10)12(4,5)6/h10H,7-9H2,1-6H3.
What are the key properties of 3,4-ditert-butylthiomorpholine?
3,4-ditert-butylthiomorpholine has a molecular weight of 215.41 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butylthiomorpholine is sourced from PubChem (CID 59918152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).