4-[(E)-but-2-enyl]thiomorpholine

C8H15NS — CID 12517936

IUPAC4-[(E)-but-2-enyl]thiomorpholine
SMILESC/C=C/CN1CCSCC1
InChIInChI=1S/C8H15NS/c1-2-3-4-9-5-7-10-8-6-9/h2-3H,4-8H2,1H3/b3-2+
InChIKeyZMUPJJHDEDDDKD-NSCUHMNNSA-N
MW157.28 g/mol
LogP1.61
Rot. Bonds2

About 4-[(E)-but-2-enyl]thiomorpholine

4-[(E)-but-2-enyl]thiomorpholine (PubChem CID 12517936) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 4-[(E)-but-2-enyl]thiomorpholine.

Molecular Properties

Compound Name4-[(E)-but-2-enyl]thiomorpholine
PubChem CID12517936
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name4-[(E)-but-2-enyl]thiomorpholine
SMILESC/C=C/CN1CCSCC1
InChIInChI=1S/C8H15NS/c1-2-3-4-9-5-7-10-8-6-9/h2-3H,4-8H2,1H3/b3-2+
InChIKeyZMUPJJHDEDDDKD-NSCUHMNNSA-N
XLogP1.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2-Dimethyl-4-(3-methylbut-2-en-1-yl)thiomorpholine
CID 130709446
4-(2-Propen-1-yl)thiomorpholine
CID 12517935
4-(2-Methylprop-2-enyl)thiomorpholine
CID 52141724
N-prop-2-enyl-N-(2-propylsulfanylethyl)prop-2-en-1-amine
CID 54074839
4-Buta-2,3-dienylthiomorpholine
CID 57277223
4-But-3-enylthiomorpholine
CID 85832895
4-[(E)-but-2-en-2-yl]thiomorpholine
CID 117661812
N,N-diethyl-2H-thiopyran-2-amine
CID 123924880
4-But-2-en-2-ylthiomorpholine
CID 123957364
4-Methylthiomorpholine;prop-1-ene
CID 143140970
4-Prop-1-enylthiomorpholine
CID 152718459
2-Ethenyl-4-methylthiomorpholine
CID 153547696

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-enyl]thiomorpholine?
The IUPAC name of 4-[(E)-but-2-enyl]thiomorpholine (CID 12517936) is 4-[(E)-but-2-enyl]thiomorpholine.
What is the SMILES notation for 4-[(E)-but-2-enyl]thiomorpholine?
The canonical SMILES for 4-[(E)-but-2-enyl]thiomorpholine is C/C=C/CN1CCSCC1.
What is the InChIKey of 4-[(E)-but-2-enyl]thiomorpholine?
The InChIKey is ZMUPJJHDEDDDKD-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H15NS/c1-2-3-4-9-5-7-10-8-6-9/h2-3H,4-8H2,1H3/b3-2+.
What are the key properties of 4-[(E)-but-2-enyl]thiomorpholine?
4-[(E)-but-2-enyl]thiomorpholine has a molecular weight of 157.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-enyl]thiomorpholine is sourced from PubChem (CID 12517936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).