3,4-dimethylthiomorpholine

C6H13NS — CID 14953856

IUPAC3,4-dimethylthiomorpholine
SMILESCC1CSCCN1C
InChIInChI=1S/C6H13NS/c1-6-5-8-4-3-7(6)2/h6H,3-5H2,1-2H3
InChIKeyZCFVSJHGDHEKJU-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.05
Rot. Bonds

About 3,4-dimethylthiomorpholine

3,4-dimethylthiomorpholine (PubChem CID 14953856) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 3,4-dimethylthiomorpholine.

Molecular Properties

Compound Name3,4-dimethylthiomorpholine
PubChem CID14953856
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name3,4-dimethylthiomorpholine
SMILESCC1CSCCN1C
InChIInChI=1S/C6H13NS/c1-6-5-8-4-3-7(6)2/h6H,3-5H2,1-2H3
InChIKeyZCFVSJHGDHEKJU-UHFFFAOYSA-N
XLogP1.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylthiomorpholine?
The IUPAC name of 3,4-dimethylthiomorpholine (CID 14953856) is 3,4-dimethylthiomorpholine.
What is the SMILES notation for 3,4-dimethylthiomorpholine?
The canonical SMILES for 3,4-dimethylthiomorpholine is CC1CSCCN1C.
What is the InChIKey of 3,4-dimethylthiomorpholine?
The InChIKey is ZCFVSJHGDHEKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-6-5-8-4-3-7(6)2/h6H,3-5H2,1-2H3.
What are the key properties of 3,4-dimethylthiomorpholine?
3,4-dimethylthiomorpholine has a molecular weight of 131.24 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylthiomorpholine is sourced from PubChem (CID 14953856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).