4-methyl-2,3-dimethylidenethiomorpholine

C7H11NS — CID 89047027

IUPAC4-methyl-2,3-dimethylidenethiomorpholine
SMILESC=C1SCCN(C)C1=C
InChIInChI=1S/C7H11NS/c1-6-7(2)9-5-4-8(6)3/h1-2,4-5H2,3H3
InChIKeyVSYSVMYDBVYXSW-UHFFFAOYSA-N
MW141.24 g/mol
LogP1.69
Rot. Bonds

About 4-methyl-2,3-dimethylidenethiomorpholine

4-methyl-2,3-dimethylidenethiomorpholine (PubChem CID 89047027) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 4-methyl-2,3-dimethylidenethiomorpholine.

Molecular Properties

Compound Name4-methyl-2,3-dimethylidenethiomorpholine
PubChem CID89047027
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name4-methyl-2,3-dimethylidenethiomorpholine
SMILESC=C1SCCN(C)C1=C
InChIInChI=1S/C7H11NS/c1-6-7(2)9-5-4-8(6)3/h1-2,4-5H2,3H3
InChIKeyVSYSVMYDBVYXSW-UHFFFAOYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-dimethylidenethiomorpholine?
The IUPAC name of 4-methyl-2,3-dimethylidenethiomorpholine (CID 89047027) is 4-methyl-2,3-dimethylidenethiomorpholine.
What is the SMILES notation for 4-methyl-2,3-dimethylidenethiomorpholine?
The canonical SMILES for 4-methyl-2,3-dimethylidenethiomorpholine is C=C1SCCN(C)C1=C.
What is the InChIKey of 4-methyl-2,3-dimethylidenethiomorpholine?
The InChIKey is VSYSVMYDBVYXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-6-7(2)9-5-4-8(6)3/h1-2,4-5H2,3H3.
What are the key properties of 4-methyl-2,3-dimethylidenethiomorpholine?
4-methyl-2,3-dimethylidenethiomorpholine has a molecular weight of 141.24 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-dimethylidenethiomorpholine is sourced from PubChem (CID 89047027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).