2,3,4-tritert-butylmorpholine;2,3,4-tritert-butylthiomorpholine

C32H66N2OS — CID 160780859

IUPAC2,3,4-tritert-butylmorpholine;2,3,4-tritert-butylthiomorpholine
SMILESCC(C)(C)C1OCCN(C(C)(C)C)C1C(C)(C)C.CC(C)(C)C1SCCN(C(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C16H33NO.C16H33NS/c2*1-14(2,3)12-13(15(4,5)6)18-11-10-17(12)16(7,8)9/h2*12-13H,10-11H2,1-9H3
InChIKeySAOAZMYSFNKPSZ-UHFFFAOYSA-N
MW526.96 g/mol
LogP8.61
Rot. Bonds

About 2,3,4-tritert-butylmorpholine;2,3,4-tritert-butylthiomorpholine

2,3,4-tritert-butylmorpholine;2,3,4-tritert-butylthiomorpholine (PubChem CID 160780859) has the molecular formula C32H66N2OS and a molecular weight of 526.96 g/mol. Its IUPAC name is 2,3,4-tritert-butylmorpholine;2,3,4-tritert-butylthiomorpholine.

Molecular Properties

Compound Name2,3,4-tritert-butylmorpholine;2,3,4-tritert-butylthiomorpholine
PubChem CID160780859
Molecular FormulaC32H66N2OS
Molecular Weight526.96 g/mol
Exact Mass526.49
IUPAC Name2,3,4-tritert-butylmorpholine;2,3,4-tritert-butylthiomorpholine
SMILESCC(C)(C)C1OCCN(C(C)(C)C)C1C(C)(C)C.CC(C)(C)C1SCCN(C(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C16H33NO.C16H33NS/c2*1-14(2,3)12-13(15(4,5)6)18-11-10-17(12)16(7,8)9/h2*12-13H,10-11H2,1-9H3
InChIKeySAOAZMYSFNKPSZ-UHFFFAOYSA-N
XLogP8.61
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.96
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,3,4-tritert-butylmorpholine;2,3,4-tritert-butylthiomorpholine with MolForge

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

Launch Full Analysis

Related Compounds

4,5,6-tritert-butyl-2,2-dimethylmorpholine;2,3,4-tritert-butyl-6-methylmorpholine;2,3,4-tritert-butylmorpholine;5,6,7-tritert-butyl-4-oxa-7-azaspiro[2.5]octane;1,2,3-tritert-butylpiperidine;2,3,4-tritert-butyl-1,4-thiazinane 1,1-dioxide;2,3,4-tritert-butylthiomorpholine;4,5,6-tritert-butyl-2,3,3-trideuterio-2-methylmorpholine
CID 167688659
(5S)-4,5-ditert-butyl-1,4-thiazepane
CID 171587771
1,2,3-tritert-butylpiperazine
CID 166024715
(2R,3S)-1,2-ditert-butyl-3-methoxypyrrolidine
CID 166767251
2-tert-butyl-3-propan-2-yl-1,4-dithiepane
CID 170289624
2,3-ditert-butyloxolane
CID 58782145
4,6,11-tritert-butyl-1,4,6,11-tetrazabicyclo[3.3.3]undecane
CID 129303697
(2-tert-butyloxan-3-yl)methanol
CID 79373679
2,4-ditert-butyl-3a,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one
CID 164764336
N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylpropan-2-amine
CID 79368939
5,6-ditert-butyl-2-oxa-6-azabicyclo[2.2.1]heptane
CID 176747824
4-tert-butyl-2-propan-2-ylmorpholine
CID 134252869

Frequently Asked Questions

What is the IUPAC name of 2,3,4-tritert-butylmorpholine;2,3,4-tritert-butylthiomorpholine?
The IUPAC name of 2,3,4-tritert-butylmorpholine;2,3,4-tritert-butylthiomorpholine (CID 160780859) is 2,3,4-tritert-butylmorpholine;2,3,4-tritert-butylthiomorpholine.
What is the SMILES notation for 2,3,4-tritert-butylmorpholine;2,3,4-tritert-butylthiomorpholine?
The canonical SMILES for 2,3,4-tritert-butylmorpholine;2,3,4-tritert-butylthiomorpholine is CC(C)(C)C1OCCN(C(C)(C)C)C1C(C)(C)C.CC(C)(C)C1SCCN(C(C)(C)C)C1C(C)(C)C.
What is the InChIKey of 2,3,4-tritert-butylmorpholine;2,3,4-tritert-butylthiomorpholine?
The InChIKey is SAOAZMYSFNKPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO.C16H33NS/c2*1-14(2,3)12-13(15(4,5)6)18-11-10-17(12)16(7,8)9/h2*12-13H,10-11H2,1-9H3.
What are the key properties of 2,3,4-tritert-butylmorpholine;2,3,4-tritert-butylthiomorpholine?
2,3,4-tritert-butylmorpholine;2,3,4-tritert-butylthiomorpholine has a molecular weight of 526.96 g/mol, XLogP of 8.61, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tritert-butylmorpholine;2,3,4-tritert-butylthiomorpholine is sourced from PubChem (CID 160780859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).