4-prop-2-enylsulfanylmorpholine

C7H13NOS — CID 134892146

IUPAC4-prop-2-enylsulfanylmorpholine
SMILESC=CCSN1CCOCC1
InChIInChI=1S/C7H13NOS/c1-2-7-10-8-3-5-9-6-4-8/h2H,1,3-7H2
InChIKeyQDPYEEKBFAJXJA-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.15
Rot. Bonds3

About 4-prop-2-enylsulfanylmorpholine

4-prop-2-enylsulfanylmorpholine (PubChem CID 134892146) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 4-prop-2-enylsulfanylmorpholine.

Molecular Properties

Compound Name4-prop-2-enylsulfanylmorpholine
PubChem CID134892146
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name4-prop-2-enylsulfanylmorpholine
SMILESC=CCSN1CCOCC1
InChIInChI=1S/C7H13NOS/c1-2-7-10-8-3-5-9-6-4-8/h2H,1,3-7H2
InChIKeyQDPYEEKBFAJXJA-UHFFFAOYSA-N
XLogP1.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-ethylsulfanylmorpholine
CID 177159811
4-pentylsulfanylmorpholine
CID 134928902
4-(3,3-dimethylhexa-1,5-dien-2-yl)morpholine
CID 121013748
N-morpholin-4-ylsulfanyl-N-prop-2-enylcarbamoyl fluoride
CID 88796853
morpholin-4-yl thiohypofluorite
CID 139893676
4-penta-1,2,4-trien-3-ylmorpholine
CID 144961397
ethane;4-methylsulfanylmorpholine
CID 143553073
4-oct-7-enylmorpholine
CID 67850758
2-prop-2-enylsulfanyl-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane 2-oxide
CID 170686944
4-(4-prop-2-enylphenyl)morpholine
CID 70631563
4-(1,2-difluoro-2-morpholin-4-ylsulfanylethyl)sulfanylmorpholine
CID 138710928
1-morpholin-4-yl-2-[phosphanyl(prop-2-enyl)amino]ethanone
CID 90069008

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylsulfanylmorpholine?
The IUPAC name of 4-prop-2-enylsulfanylmorpholine (CID 134892146) is 4-prop-2-enylsulfanylmorpholine.
What is the SMILES notation for 4-prop-2-enylsulfanylmorpholine?
The canonical SMILES for 4-prop-2-enylsulfanylmorpholine is C=CCSN1CCOCC1.
What is the InChIKey of 4-prop-2-enylsulfanylmorpholine?
The InChIKey is QDPYEEKBFAJXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-2-7-10-8-3-5-9-6-4-8/h2H,1,3-7H2.
What are the key properties of 4-prop-2-enylsulfanylmorpholine?
4-prop-2-enylsulfanylmorpholine has a molecular weight of 159.25 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylsulfanylmorpholine is sourced from PubChem (CID 134892146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).