2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-thiophen-2-ylsulfonylmorpholine

C18H22N4O6S2 — CID 4501487

IUPAC2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-thiophen-2-ylsulfonylmorpholine
SMILESC=CCOc1nc(OCC=C)nc(OCC2CN(S(=O)(=O)c3cccs3)CCO2)n1
InChIInChI=1S/C18H22N4O6S2/c1-3-8-26-16-19-17(27-9-4-2)21-18(20-16)28-13-14-12-22(7-10-25-14)30(23,24)15-6-5-11-29-15/h3-6,11,14H,1-2,7-10,12-13H2
InChIKeyCHPFDDZCWLUWFU-UHFFFAOYSA-N
MW454.53 g/mol
LogP1.53
Rot. Bonds11

About 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-thiophen-2-ylsulfonylmorpholine

2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-thiophen-2-ylsulfonylmorpholine (PubChem CID 4501487) has the molecular formula C18H22N4O6S2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-thiophen-2-ylsulfonylmorpholine.

Molecular Properties

Compound Name2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-thiophen-2-ylsulfonylmorpholine
PubChem CID4501487
Molecular FormulaC18H22N4O6S2
Molecular Weight454.53 g/mol
Exact Mass454.10
IUPAC Name2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-thiophen-2-ylsulfonylmorpholine
SMILESC=CCOc1nc(OCC=C)nc(OCC2CN(S(=O)(=O)c3cccs3)CCO2)n1
InChIInChI=1S/C18H22N4O6S2/c1-3-8-26-16-19-17(27-9-4-2)21-18(20-16)28-13-14-12-22(7-10-25-14)30(23,24)15-6-5-11-29-15/h3-6,11,14H,1-2,7-10,12-13H2
InChIKeyCHPFDDZCWLUWFU-UHFFFAOYSA-N
XLogP1.53
TPSA112.97 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-[4-(trifluoromethyl)phenyl]sulfonylmorpholine
CID 3804573
N-[5-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]sulfonyl-4-methyl-1,3-thiazol-2-yl]acetamide
CID 3470545
2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-[(3-methylthiophen-2-yl)methyl]morpholine
CID 3745600
(5aR,9aR)-4-prop-2-enyl-8-thiophen-2-ylsulfonyl-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepine
CID 125256649
1,3-benzothiazol-6-yl-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]methanone
CID 4679305
(2R)-2-pyrazin-2-yl-4-thiophen-2-ylsulfonylmorpholine
CID 124961088
2-pyrazin-2-yl-4-thiophen-2-ylsulfonylmorpholine
CID 127246278
1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone
CID 3442233
(7R,8aS)-7-prop-2-enoxy-2-thiophen-2-ylsulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 97403353
2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-[(Z)-3-(furan-2-yl)prop-2-enyl]morpholine
CID 74228459
4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-(pyrimidin-2-yloxymethyl)morpholine
CID 74224060
(1R,4S,7S)-7-prop-2-enoxy-2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptane
CID 124869526

Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-thiophen-2-ylsulfonylmorpholine?
The IUPAC name of 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-thiophen-2-ylsulfonylmorpholine (CID 4501487) is 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-thiophen-2-ylsulfonylmorpholine.
What is the SMILES notation for 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-thiophen-2-ylsulfonylmorpholine?
The canonical SMILES for 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-thiophen-2-ylsulfonylmorpholine is C=CCOc1nc(OCC=C)nc(OCC2CN(S(=O)(=O)c3cccs3)CCO2)n1.
What is the InChIKey of 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-thiophen-2-ylsulfonylmorpholine?
The InChIKey is CHPFDDZCWLUWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O6S2/c1-3-8-26-16-19-17(27-9-4-2)21-18(20-16)28-13-14-12-22(7-10-25-14)30(23,24)15-6-5-11-29-15/h3-6,11,14H,1-2,7-10,12-13H2.
What are the key properties of 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-thiophen-2-ylsulfonylmorpholine?
2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-thiophen-2-ylsulfonylmorpholine has a molecular weight of 454.53 g/mol, XLogP of 1.53, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-thiophen-2-ylsulfonylmorpholine is sourced from PubChem (CID 4501487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).