4-[(E)-but-2-enyl]-2,6-dimethylthiomorpholine

C10H19NS — CID 131240922

IUPAC4-[(E)-but-2-enyl]-2,6-dimethylthiomorpholine
SMILESC/C=C/CN1CC(C)SC(C)C1
InChIInChI=1S/C10H19NS/c1-4-5-6-11-7-9(2)12-10(3)8-11/h4-5,9-10H,6-8H2,1-3H3/b5-4+
InChIKeyLSVDGLPZBPLBLU-SNAWJCMRSA-N
MW185.34 g/mol
LogP2.39
Rot. Bonds2

About 4-[(E)-but-2-enyl]-2,6-dimethylthiomorpholine

4-[(E)-but-2-enyl]-2,6-dimethylthiomorpholine (PubChem CID 131240922) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 4-[(E)-but-2-enyl]-2,6-dimethylthiomorpholine.

Molecular Properties

Compound Name4-[(E)-but-2-enyl]-2,6-dimethylthiomorpholine
PubChem CID131240922
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name4-[(E)-but-2-enyl]-2,6-dimethylthiomorpholine
SMILESC/C=C/CN1CC(C)SC(C)C1
InChIInChI=1S/C10H19NS/c1-4-5-6-11-7-9(2)12-10(3)8-11/h4-5,9-10H,6-8H2,1-3H3/b5-4+
InChIKeyLSVDGLPZBPLBLU-SNAWJCMRSA-N
XLogP2.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(E)-but-2-enyl]-2,6-dimethylthiomorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
1-(2-ethylsulfanylethyl)-3,6-dihydro-2H-pyridine
CID 60061033
4-But-3-enylthiomorpholine
CID 85832895
4-(2-Ethenylbut-2-enyl)thiomorpholine
CID 123822515
(E)-1-methylsulfanylprop-1-ene;1-prop-2-enylpiperidine
CID 142185314
4-Methylthiomorpholine;prop-1-ene
CID 143140970
1-[(Z)-2-[(Z)-but-2-en-2-yl]sulfanylbut-2-enyl]piperidine
CID 144347263
(E)-N-ethyl-N-methyl-3-propan-2-ylsulfanylprop-2-en-1-amine
CID 144748130

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-enyl]-2,6-dimethylthiomorpholine?
The IUPAC name of 4-[(E)-but-2-enyl]-2,6-dimethylthiomorpholine (CID 131240922) is 4-[(E)-but-2-enyl]-2,6-dimethylthiomorpholine.
What is the SMILES notation for 4-[(E)-but-2-enyl]-2,6-dimethylthiomorpholine?
The canonical SMILES for 4-[(E)-but-2-enyl]-2,6-dimethylthiomorpholine is C/C=C/CN1CC(C)SC(C)C1.
What is the InChIKey of 4-[(E)-but-2-enyl]-2,6-dimethylthiomorpholine?
The InChIKey is LSVDGLPZBPLBLU-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H19NS/c1-4-5-6-11-7-9(2)12-10(3)8-11/h4-5,9-10H,6-8H2,1-3H3/b5-4+.
What are the key properties of 4-[(E)-but-2-enyl]-2,6-dimethylthiomorpholine?
4-[(E)-but-2-enyl]-2,6-dimethylthiomorpholine has a molecular weight of 185.34 g/mol, XLogP of 2.39, 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]-2,6-dimethylthiomorpholine is sourced from PubChem (CID 131240922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).