4-ethenyl-2,2-dimethyl-3-morpholin-4-ylthietane 1,1-dioxide

C11H19NO3S — CID 3116740

IUPAC4-ethenyl-2,2-dimethyl-3-morpholin-4-ylthietane 1,1-dioxide
SMILESC=CC1C(N2CCOCC2)C(C)(C)S1(=O)=O
InChIInChI=1S/C11H19NO3S/c1-4-9-10(11(2,3)16(9,13)14)12-5-7-15-8-6-12/h4,9-10H,1,5-8H2,2-3H3
InChIKeyPPKQIZNQFPCWJI-UHFFFAOYSA-N
MW245.34 g/mol
LogP0.45
Rot. Bonds2

About 4-ethenyl-2,2-dimethyl-3-morpholin-4-ylthietane 1,1-dioxide

4-ethenyl-2,2-dimethyl-3-morpholin-4-ylthietane 1,1-dioxide (PubChem CID 3116740) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is 4-ethenyl-2,2-dimethyl-3-morpholin-4-ylthietane 1,1-dioxide.

Molecular Properties

Compound Name4-ethenyl-2,2-dimethyl-3-morpholin-4-ylthietane 1,1-dioxide
PubChem CID3116740
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name4-ethenyl-2,2-dimethyl-3-morpholin-4-ylthietane 1,1-dioxide
SMILESC=CC1C(N2CCOCC2)C(C)(C)S1(=O)=O
InChIInChI=1S/C11H19NO3S/c1-4-9-10(11(2,3)16(9,13)14)12-5-7-15-8-6-12/h4,9-10H,1,5-8H2,2-3H3
InChIKeyPPKQIZNQFPCWJI-UHFFFAOYSA-N
XLogP0.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2,4-trimethyl-3-morpholin-4-ylthietane 1,1-dioxide
CID 6610822
2-chloro-3-morpholin-4-yl-1λ6-thiaspiro[3.4]octane 1,1-dioxide
CID 134924469
2-(2,2-dimethyl-4-morpholin-4-yl-1,1-dioxothietan-3-yl)propan-2-ol
CID 23941173
(3S,4S)-3,4-dimorpholin-4-ylthiolane 1,1-dioxide
CID 661770
1-methyl-2-morpholin-4-ylcyclohexan-1-ol;prop-1-ene
CID 143573715
2,2-dimethyl-3-morpholin-4-yl-3,4-dihydrochromen-4-ol
CID 82187161
4-cyclopropylmorpholine;ethane
CID 155594914
(1R,4R,5R,6R)-1,3,3-trimethyl-6-morpholin-4-yl-2-oxabicyclo[2.2.2]octan-5-ol
CID 98541620
2,2-dimethyl-3-morpholin-4-ylcyclobutan-1-ol
CID 114631728
(3R)-3-morpholin-4-ylthiolane 1,1-dioxide
CID 7072045
4-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)morpholine
CID 24995982
4-[(3R)-2,2-dimethylpyrrolidin-3-yl]morpholine
CID 99868070

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2,2-dimethyl-3-morpholin-4-ylthietane 1,1-dioxide?
The IUPAC name of 4-ethenyl-2,2-dimethyl-3-morpholin-4-ylthietane 1,1-dioxide (CID 3116740) is 4-ethenyl-2,2-dimethyl-3-morpholin-4-ylthietane 1,1-dioxide.
What is the SMILES notation for 4-ethenyl-2,2-dimethyl-3-morpholin-4-ylthietane 1,1-dioxide?
The canonical SMILES for 4-ethenyl-2,2-dimethyl-3-morpholin-4-ylthietane 1,1-dioxide is C=CC1C(N2CCOCC2)C(C)(C)S1(=O)=O.
What is the InChIKey of 4-ethenyl-2,2-dimethyl-3-morpholin-4-ylthietane 1,1-dioxide?
The InChIKey is PPKQIZNQFPCWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-4-9-10(11(2,3)16(9,13)14)12-5-7-15-8-6-12/h4,9-10H,1,5-8H2,2-3H3.
What are the key properties of 4-ethenyl-2,2-dimethyl-3-morpholin-4-ylthietane 1,1-dioxide?
4-ethenyl-2,2-dimethyl-3-morpholin-4-ylthietane 1,1-dioxide has a molecular weight of 245.34 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,2-dimethyl-3-morpholin-4-ylthietane 1,1-dioxide is sourced from PubChem (CID 3116740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).