3,3-dimethylthiomorpholine

C6H13NS — CID 14988015

IUPAC3,3-dimethylthiomorpholine
SMILESCC1(C)CSCCN1
InChIInChI=1S/C6H13NS/c1-6(2)5-8-4-3-7-6/h7H,3-5H2,1-2H3
InChIKeyCQQZUNZROLXKHB-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.10
Rot. Bonds

About 3,3-dimethylthiomorpholine

3,3-dimethylthiomorpholine (PubChem CID 14988015) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 3,3-dimethylthiomorpholine.

Molecular Properties

Compound Name3,3-dimethylthiomorpholine
PubChem CID14988015
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name3,3-dimethylthiomorpholine
SMILESCC1(C)CSCCN1
InChIInChI=1S/C6H13NS/c1-6(2)5-8-4-3-7-6/h7H,3-5H2,1-2H3
InChIKeyCQQZUNZROLXKHB-UHFFFAOYSA-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 3,3-dimethylthiomorpholine?
The IUPAC name of 3,3-dimethylthiomorpholine (CID 14988015) is 3,3-dimethylthiomorpholine.
What is the SMILES notation for 3,3-dimethylthiomorpholine?
The canonical SMILES for 3,3-dimethylthiomorpholine is CC1(C)CSCCN1.
What is the InChIKey of 3,3-dimethylthiomorpholine?
The InChIKey is CQQZUNZROLXKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-6(2)5-8-4-3-7-6/h7H,3-5H2,1-2H3.
What are the key properties of 3,3-dimethylthiomorpholine?
3,3-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 3,3-dimethylthiomorpholine is sourced from PubChem (CID 14988015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).