4-(2-prop-1-enylpent-2-enyl)thiomorpholine

C12H21NS — CID 123294511

IUPAC4-(2-prop-1-enylpent-2-enyl)thiomorpholine
SMILESCC=CC(=CCC)CN1CCSCC1
InChIInChI=1S/C12H21NS/c1-3-5-12(6-4-2)11-13-7-9-14-10-8-13/h3,5-6H,4,7-11H2,1-2H3
InChIKeyTURMDBOBDFWMMR-UHFFFAOYSA-N
MW211.37 g/mol
LogP2.95
Rot. Bonds4

About 4-(2-prop-1-enylpent-2-enyl)thiomorpholine

4-(2-prop-1-enylpent-2-enyl)thiomorpholine (PubChem CID 123294511) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 4-(2-prop-1-enylpent-2-enyl)thiomorpholine.

Molecular Properties

Compound Name4-(2-prop-1-enylpent-2-enyl)thiomorpholine
PubChem CID123294511
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name4-(2-prop-1-enylpent-2-enyl)thiomorpholine
SMILESCC=CC(=CCC)CN1CCSCC1
InChIInChI=1S/C12H21NS/c1-3-5-12(6-4-2)11-13-7-9-14-10-8-13/h3,5-6H,4,7-11H2,1-2H3
InChIKeyTURMDBOBDFWMMR-UHFFFAOYSA-N
XLogP2.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 52.95
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

4-[(Ethylthio)methyl]-1-methyl-1,2,3,6-tetrahydropyridine
CID 14442215
5-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 19933889
2,2-Dimethyl-4-(3-methylbut-2-en-1-yl)thiomorpholine
CID 130709446
1-methyl-4-(propylsulfanylmethyl)-3,6-dihydro-2H-pyridine
CID 14442223
1-ethyl-4-(ethylsulfanylmethyl)-3,6-dihydro-2H-pyridine
CID 14442224
4-(ethylsulfanylmethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium
CID 14442232
1-[2-[(dimethylamino)methyl]-6-methylidenethiopyran-4-yl]-N,N-dimethylmethanamine
CID 20690183
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-Ethenylbut-2-enyl)thiomorpholine
CID 123822515
4-[(2E,4Z)-6-methylsulfanylhexa-2,4-dien-2-yl]-1-propyl-3,6-dihydro-2H-pyridine
CID 126494315

Frequently Asked Questions

What is the IUPAC name of 4-(2-prop-1-enylpent-2-enyl)thiomorpholine?
The IUPAC name of 4-(2-prop-1-enylpent-2-enyl)thiomorpholine (CID 123294511) is 4-(2-prop-1-enylpent-2-enyl)thiomorpholine.
What is the SMILES notation for 4-(2-prop-1-enylpent-2-enyl)thiomorpholine?
The canonical SMILES for 4-(2-prop-1-enylpent-2-enyl)thiomorpholine is CC=CC(=CCC)CN1CCSCC1.
What is the InChIKey of 4-(2-prop-1-enylpent-2-enyl)thiomorpholine?
The InChIKey is TURMDBOBDFWMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-3-5-12(6-4-2)11-13-7-9-14-10-8-13/h3,5-6H,4,7-11H2,1-2H3.
What are the key properties of 4-(2-prop-1-enylpent-2-enyl)thiomorpholine?
4-(2-prop-1-enylpent-2-enyl)thiomorpholine has a molecular weight of 211.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-prop-1-enylpent-2-enyl)thiomorpholine is sourced from PubChem (CID 123294511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).