4-buta-2,3-dienylthiomorpholine

C8H13NS — CID 57277223

IUPAC4-buta-2,3-dienylthiomorpholine
SMILESC=C=CCN1CCSCC1
InChIInChI=1S/C8H13NS/c1-2-3-4-9-5-7-10-8-6-9/h3H,1,4-8H2
InChIKeyQXKWJWVRPPXGNH-UHFFFAOYSA-N
MW155.27 g/mol
LogP1.38
Rot. Bonds2

About 4-buta-2,3-dienylthiomorpholine

4-buta-2,3-dienylthiomorpholine (PubChem CID 57277223) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 4-buta-2,3-dienylthiomorpholine.

Molecular Properties

Compound Name4-buta-2,3-dienylthiomorpholine
PubChem CID57277223
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name4-buta-2,3-dienylthiomorpholine
SMILESC=C=CCN1CCSCC1
InChIInChI=1S/C8H13NS/c1-2-3-4-9-5-7-10-8-6-9/h3H,1,4-8H2
InChIKeyQXKWJWVRPPXGNH-UHFFFAOYSA-N
XLogP1.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-Propen-1-yl)thiomorpholine
CID 12517935
4-Methylthiomorpholine;prop-1-ene
CID 143140970
4-prop-2-enyl-(613C)1,4-thiazinane
CID 173169396
4-[(E)-but-2-enyl]thiomorpholine
CID 12517936
4-Thiomorpholin-4-ylbut-2-ene-1-thiol
CID 80024967
2-Methyl-4-prop-2-enylthiomorpholine
CID 102362402
4-(3-Methylbut-2-enyl)thiomorpholine
CID 102415045
3-Methyl-4-prop-2-enylthiomorpholine
CID 127341335
4-[(E)-but-2-enyl]-2,6-dimethylthiomorpholine
CID 131240922
4-(Propa-1,2-dien-1-yl)thiomorpholine
CID 177813751

Frequently Asked Questions

What is the IUPAC name of 4-buta-2,3-dienylthiomorpholine?
The IUPAC name of 4-buta-2,3-dienylthiomorpholine (CID 57277223) is 4-buta-2,3-dienylthiomorpholine.
What is the SMILES notation for 4-buta-2,3-dienylthiomorpholine?
The canonical SMILES for 4-buta-2,3-dienylthiomorpholine is C=C=CCN1CCSCC1.
What is the InChIKey of 4-buta-2,3-dienylthiomorpholine?
The InChIKey is QXKWJWVRPPXGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-2-3-4-9-5-7-10-8-6-9/h3H,1,4-8H2.
What are the key properties of 4-buta-2,3-dienylthiomorpholine?
4-buta-2,3-dienylthiomorpholine has a molecular weight of 155.27 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-buta-2,3-dienylthiomorpholine is sourced from PubChem (CID 57277223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).