3-methylidene-4-propan-2-ylthiomorpholine

C8H15NS — CID 143160741

IUPAC3-methylidene-4-propan-2-ylthiomorpholine
SMILESC=C1CSCCN1C(C)C
InChIInChI=1S/C8H15NS/c1-7(2)9-4-5-10-6-8(9)3/h7H,3-6H2,1-2H3
InChIKeyYWINWHUYLVIBOJ-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.96
Rot. Bonds1

About 3-methylidene-4-propan-2-ylthiomorpholine

3-methylidene-4-propan-2-ylthiomorpholine (PubChem CID 143160741) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 3-methylidene-4-propan-2-ylthiomorpholine.

Molecular Properties

Compound Name3-methylidene-4-propan-2-ylthiomorpholine
PubChem CID143160741
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name3-methylidene-4-propan-2-ylthiomorpholine
SMILESC=C1CSCCN1C(C)C
InChIInChI=1S/C8H15NS/c1-7(2)9-4-5-10-6-8(9)3/h7H,3-6H2,1-2H3
InChIKeyYWINWHUYLVIBOJ-UHFFFAOYSA-N
XLogP1.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-4-propan-2-ylthiomorpholine?
The IUPAC name of 3-methylidene-4-propan-2-ylthiomorpholine (CID 143160741) is 3-methylidene-4-propan-2-ylthiomorpholine.
What is the SMILES notation for 3-methylidene-4-propan-2-ylthiomorpholine?
The canonical SMILES for 3-methylidene-4-propan-2-ylthiomorpholine is C=C1CSCCN1C(C)C.
What is the InChIKey of 3-methylidene-4-propan-2-ylthiomorpholine?
The InChIKey is YWINWHUYLVIBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-7(2)9-4-5-10-6-8(9)3/h7H,3-6H2,1-2H3.
What are the key properties of 3-methylidene-4-propan-2-ylthiomorpholine?
3-methylidene-4-propan-2-ylthiomorpholine has a molecular weight of 157.28 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-4-propan-2-ylthiomorpholine is sourced from PubChem (CID 143160741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).