4-[(2E)-4-methylpenta-2,4-dienyl]thiomorpholine

C10H17NS — CID 177231949

IUPAC4-[(2E)-4-methylpenta-2,4-dienyl]thiomorpholine
SMILESC=C(C)/C=C/CN1CCSCC1
InChIInChI=1S/C10H17NS/c1-10(2)4-3-5-11-6-8-12-9-7-11/h3-4H,1,5-9H2,2H3/b4-3+
InChIKeyYRTXUEDTNOBJDV-ONEGZZNKSA-N
MW183.32 g/mol
LogP2.17
Rot. Bonds3

About 4-[(2E)-4-methylpenta-2,4-dienyl]thiomorpholine

4-[(2E)-4-methylpenta-2,4-dienyl]thiomorpholine (PubChem CID 177231949) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 4-[(2E)-4-methylpenta-2,4-dienyl]thiomorpholine.

Molecular Properties

Compound Name4-[(2E)-4-methylpenta-2,4-dienyl]thiomorpholine
PubChem CID177231949
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name4-[(2E)-4-methylpenta-2,4-dienyl]thiomorpholine
SMILESC=C(C)/C=C/CN1CCSCC1
InChIInChI=1S/C10H17NS/c1-10(2)4-3-5-11-6-8-12-9-7-11/h3-4H,1,5-9H2,2H3/b4-3+
InChIKeyYRTXUEDTNOBJDV-ONEGZZNKSA-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'}

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Related Compounds

5-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 19933889
1-[6-[(dimethylamino)methyl]-4-methylidenethiopyran-2-yl]-N,N-dimethylmethanamine
CID 20690185
1-(2-ethylsulfanylethyl)-3,6-dihydro-2H-pyridine
CID 60061033
2-[(1E)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]sulfanyl-N,N-dimethylethanamine
CID 70879466
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-(2-Ethenylbut-2-enyl)thiomorpholine
CID 123822515
4-ethenylsulfanyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine
CID 129126917
4-ethenylsulfanyl-5-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine
CID 129127064
4-(4-Methylcyclohexa-2,4-dien-1-yl)thiomorpholine
CID 141800896
6-Methyl-4-thiomorpholin-4-ylcyclohexa-1,5-diene-1-thiol
CID 141802775
ethane;5-ethenyl-1-methyl-4-methylsulfanyl-3,6-dihydro-2H-pyridine;methane
CID 141953483

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-4-methylpenta-2,4-dienyl]thiomorpholine?
The IUPAC name of 4-[(2E)-4-methylpenta-2,4-dienyl]thiomorpholine (CID 177231949) is 4-[(2E)-4-methylpenta-2,4-dienyl]thiomorpholine.
What is the SMILES notation for 4-[(2E)-4-methylpenta-2,4-dienyl]thiomorpholine?
The canonical SMILES for 4-[(2E)-4-methylpenta-2,4-dienyl]thiomorpholine is C=C(C)/C=C/CN1CCSCC1.
What is the InChIKey of 4-[(2E)-4-methylpenta-2,4-dienyl]thiomorpholine?
The InChIKey is YRTXUEDTNOBJDV-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H17NS/c1-10(2)4-3-5-11-6-8-12-9-7-11/h3-4H,1,5-9H2,2H3/b4-3+.
What are the key properties of 4-[(2E)-4-methylpenta-2,4-dienyl]thiomorpholine?
4-[(2E)-4-methylpenta-2,4-dienyl]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-[(2E)-4-methylpenta-2,4-dienyl]thiomorpholine is sourced from PubChem (CID 177231949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).