(2R,3S)-2,3-diethyl-4,5,6-trimethylthiomorpholine

C11H23NS — CID 59163891

IUPAC(2R,3S)-2,3-diethyl-4,5,6-trimethylthiomorpholine
SMILESCC[C@H]1SC(C)C(C)N(C)[C@H]1CC
InChIInChI=1S/C11H23NS/c1-6-10-11(7-2)13-9(4)8(3)12(10)5/h8-11H,6-7H2,1-5H3/t8?,9?,10-,11+/m0/s1
InChIKeyNEKLCGIHFZLERH-WFBLGPOFSA-N
MW201.38 g/mol
LogP3.00
Rot. Bonds2

About (2R,3S)-2,3-diethyl-4,5,6-trimethylthiomorpholine

(2R,3S)-2,3-diethyl-4,5,6-trimethylthiomorpholine (PubChem CID 59163891) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is (2R,3S)-2,3-diethyl-4,5,6-trimethylthiomorpholine.

Molecular Properties

Compound Name(2R,3S)-2,3-diethyl-4,5,6-trimethylthiomorpholine
PubChem CID59163891
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name(2R,3S)-2,3-diethyl-4,5,6-trimethylthiomorpholine
SMILESCC[C@H]1SC(C)C(C)N(C)[C@H]1CC
InChIInChI=1S/C11H23NS/c1-6-10-11(7-2)13-9(4)8(3)12(10)5/h8-11H,6-7H2,1-5H3/t8?,9?,10-,11+/m0/s1
InChIKeyNEKLCGIHFZLERH-WFBLGPOFSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 (2R,3S)-2,3-diethyl-4,5,6-trimethylthiomorpholine?
The IUPAC name of (2R,3S)-2,3-diethyl-4,5,6-trimethylthiomorpholine (CID 59163891) is (2R,3S)-2,3-diethyl-4,5,6-trimethylthiomorpholine.
What is the SMILES notation for (2R,3S)-2,3-diethyl-4,5,6-trimethylthiomorpholine?
The canonical SMILES for (2R,3S)-2,3-diethyl-4,5,6-trimethylthiomorpholine is CC[C@H]1SC(C)C(C)N(C)[C@H]1CC.
What is the InChIKey of (2R,3S)-2,3-diethyl-4,5,6-trimethylthiomorpholine?
The InChIKey is NEKLCGIHFZLERH-WFBLGPOFSA-N. The full InChI is InChI=1S/C11H23NS/c1-6-10-11(7-2)13-9(4)8(3)12(10)5/h8-11H,6-7H2,1-5H3/t8?,9?,10-,11+/m0/s1.
What are the key properties of (2R,3S)-2,3-diethyl-4,5,6-trimethylthiomorpholine?
(2R,3S)-2,3-diethyl-4,5,6-trimethylthiomorpholine has a molecular weight of 201.38 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-diethyl-4,5,6-trimethylthiomorpholine is sourced from PubChem (CID 59163891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).