2,3,5,6-tetramethyl-4-propan-2-ylthiomorpholine

C11H23NS — CID 118243087

IUPAC2,3,5,6-tetramethyl-4-propan-2-ylthiomorpholine
SMILESCC1SC(C)C(C)N(C(C)C)C1C
InChIInChI=1S/C11H23NS/c1-7(2)12-8(3)10(5)13-11(6)9(12)4/h7-11H,1-6H3
InChIKeyNXQYLMNMZLXEEY-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.00
Rot. Bonds1

About 2,3,5,6-tetramethyl-4-propan-2-ylthiomorpholine

2,3,5,6-tetramethyl-4-propan-2-ylthiomorpholine (PubChem CID 118243087) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-4-propan-2-ylthiomorpholine.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-4-propan-2-ylthiomorpholine
PubChem CID118243087
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name2,3,5,6-tetramethyl-4-propan-2-ylthiomorpholine
SMILESCC1SC(C)C(C)N(C(C)C)C1C
InChIInChI=1S/C11H23NS/c1-7(2)12-8(3)10(5)13-11(6)9(12)4/h7-11H,1-6H3
InChIKeyNXQYLMNMZLXEEY-UHFFFAOYSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-4-propan-2-ylthiomorpholine?
The IUPAC name of 2,3,5,6-tetramethyl-4-propan-2-ylthiomorpholine (CID 118243087) is 2,3,5,6-tetramethyl-4-propan-2-ylthiomorpholine.
What is the SMILES notation for 2,3,5,6-tetramethyl-4-propan-2-ylthiomorpholine?
The canonical SMILES for 2,3,5,6-tetramethyl-4-propan-2-ylthiomorpholine is CC1SC(C)C(C)N(C(C)C)C1C.
What is the InChIKey of 2,3,5,6-tetramethyl-4-propan-2-ylthiomorpholine?
The InChIKey is NXQYLMNMZLXEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-7(2)12-8(3)10(5)13-11(6)9(12)4/h7-11H,1-6H3.
What are the key properties of 2,3,5,6-tetramethyl-4-propan-2-ylthiomorpholine?
2,3,5,6-tetramethyl-4-propan-2-ylthiomorpholine has a molecular weight of 201.38 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-4-propan-2-ylthiomorpholine is sourced from PubChem (CID 118243087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).