4-(2-ethenylbut-2-enyl)thiomorpholine

C10H17NS — CID 123822515

IUPAC4-(2-ethenylbut-2-enyl)thiomorpholine
SMILESC=CC(=CC)CN1CCSCC1
InChIInChI=1S/C10H17NS/c1-3-10(4-2)9-11-5-7-12-8-6-11/h3-4H,1,5-9H2,2H3
InChIKeyXIHDMJPWBADSEF-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.17
Rot. Bonds3

About 4-(2-ethenylbut-2-enyl)thiomorpholine

4-(2-ethenylbut-2-enyl)thiomorpholine (PubChem CID 123822515) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 4-(2-ethenylbut-2-enyl)thiomorpholine.

Molecular Properties

Compound Name4-(2-ethenylbut-2-enyl)thiomorpholine
PubChem CID123822515
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name4-(2-ethenylbut-2-enyl)thiomorpholine
SMILESC=CC(=CC)CN1CCSCC1
InChIInChI=1S/C10H17NS/c1-3-10(4-2)9-11-5-7-12-8-6-11/h3-4H,1,5-9H2,2H3
InChIKeyXIHDMJPWBADSEF-UHFFFAOYSA-N
XLogP2.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-ethenylbut-2-enyl)thiomorpholine 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-(2-methylidenebutyl)thiomorpholine
CID 130612248
2,2-Dimethyl-4-(3-methylbut-2-en-1-yl)thiomorpholine
CID 130709446
2,2-Dimethyl-4-(3-methylbut-3-en-1-yl)thiomorpholine
CID 130735417
1-methyl-4-methylsulfanyl-5-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyridine
CID 89197925
4-(2-Prop-1-enylpent-2-enyl)thiomorpholine
CID 123294511
4-ethenylsulfanyl-5-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine
CID 129127064
4-(3-Methylbut-3-enyl)thiomorpholine
CID 130611988
N-(3-ethenylsulfanylbut-3-enyl)-N-methyl-2-methylidenebut-3-en-1-amine
CID 139359284
4-(4-Methylcyclohexa-2,4-dien-1-yl)thiomorpholine
CID 141800896
3-Cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine;ethane
CID 143862264
ethane;4-[(3E)-5-methylhexa-1,3,5-trien-3-yl]thiomorpholine
CID 153558447
4-[(E)-2-ethenylbut-2-enyl]-1,4-thiazinane 1,1-dioxide
CID 154937198

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethenylbut-2-enyl)thiomorpholine?
The IUPAC name of 4-(2-ethenylbut-2-enyl)thiomorpholine (CID 123822515) is 4-(2-ethenylbut-2-enyl)thiomorpholine.
What is the SMILES notation for 4-(2-ethenylbut-2-enyl)thiomorpholine?
The canonical SMILES for 4-(2-ethenylbut-2-enyl)thiomorpholine is C=CC(=CC)CN1CCSCC1.
What is the InChIKey of 4-(2-ethenylbut-2-enyl)thiomorpholine?
The InChIKey is XIHDMJPWBADSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-3-10(4-2)9-11-5-7-12-8-6-11/h3-4H,1,5-9H2,2H3.
What are the key properties of 4-(2-ethenylbut-2-enyl)thiomorpholine?
4-(2-ethenylbut-2-enyl)thiomorpholine has a molecular weight of 183.32 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethenylbut-2-enyl)thiomorpholine is sourced from PubChem (CID 123822515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).