(3R,5R)-3,5-dimethylthiomorpholine

C6H13NS — CID 13077511

IUPAC(3R,5R)-3,5-dimethylthiomorpholine
SMILESC[C@@H]1CSC[C@@H](C)N1
InChIInChI=1S/C6H13NS/c1-5-3-8-4-6(2)7-5/h5-7H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyBFJTWSMISPCLAO-PHDIDXHHSA-N
MW131.24 g/mol
LogP1.10
Rot. Bonds

About (3R,5R)-3,5-dimethylthiomorpholine

(3R,5R)-3,5-dimethylthiomorpholine (PubChem CID 13077511) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is (3R,5R)-3,5-dimethylthiomorpholine.

Molecular Properties

Compound Name(3R,5R)-3,5-dimethylthiomorpholine
PubChem CID13077511
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name(3R,5R)-3,5-dimethylthiomorpholine
SMILESC[C@@H]1CSC[C@@H](C)N1
InChIInChI=1S/C6H13NS/c1-5-3-8-4-6(2)7-5/h5-7H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyBFJTWSMISPCLAO-PHDIDXHHSA-N
XLogP1.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3,5-dimethylthiomorpholine?
The IUPAC name of (3R,5R)-3,5-dimethylthiomorpholine (CID 13077511) is (3R,5R)-3,5-dimethylthiomorpholine.
What is the SMILES notation for (3R,5R)-3,5-dimethylthiomorpholine?
The canonical SMILES for (3R,5R)-3,5-dimethylthiomorpholine is C[C@@H]1CSC[C@@H](C)N1.
What is the InChIKey of (3R,5R)-3,5-dimethylthiomorpholine?
The InChIKey is BFJTWSMISPCLAO-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H13NS/c1-5-3-8-4-6(2)7-5/h5-7H,3-4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of (3R,5R)-3,5-dimethylthiomorpholine?
(3R,5R)-3,5-dimethylthiomorpholine has a molecular weight of 131.24 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3,5-dimethylthiomorpholine is sourced from PubChem (CID 13077511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).