4-methyl-3-methylidenethiomorpholine

C6H11NS — CID 59520043

IUPAC4-methyl-3-methylidenethiomorpholine
SMILESC=C1CSCCN1C
InChIInChI=1S/C6H11NS/c1-6-5-8-4-3-7(6)2/h1,3-5H2,2H3
InChIKeyHVWJNIRDKYTBML-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.18
Rot. Bonds

About 4-methyl-3-methylidenethiomorpholine

4-methyl-3-methylidenethiomorpholine (PubChem CID 59520043) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 4-methyl-3-methylidenethiomorpholine.

Molecular Properties

Compound Name4-methyl-3-methylidenethiomorpholine
PubChem CID59520043
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name4-methyl-3-methylidenethiomorpholine
SMILESC=C1CSCCN1C
InChIInChI=1S/C6H11NS/c1-6-5-8-4-3-7(6)2/h1,3-5H2,2H3
InChIKeyHVWJNIRDKYTBML-UHFFFAOYSA-N
XLogP1.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-methylidenethiomorpholine?
The IUPAC name of 4-methyl-3-methylidenethiomorpholine (CID 59520043) is 4-methyl-3-methylidenethiomorpholine.
What is the SMILES notation for 4-methyl-3-methylidenethiomorpholine?
The canonical SMILES for 4-methyl-3-methylidenethiomorpholine is C=C1CSCCN1C.
What is the InChIKey of 4-methyl-3-methylidenethiomorpholine?
The InChIKey is HVWJNIRDKYTBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-6-5-8-4-3-7(6)2/h1,3-5H2,2H3.
What are the key properties of 4-methyl-3-methylidenethiomorpholine?
4-methyl-3-methylidenethiomorpholine has a molecular weight of 129.23 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-methylidenethiomorpholine is sourced from PubChem (CID 59520043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).