4-ethyl-4-morpholin-4-yl-1,3,2-dioxathietane 2,2-dioxide

C7H13NO5S — CID 139781712

IUPAC4-ethyl-4-morpholin-4-yl-1,3,2-dioxathietane 2,2-dioxide
SMILESCCC1(N2CCOCC2)OS(=O)(=O)O1
InChIInChI=1S/C7H13NO5S/c1-2-7(12-14(9,10)13-7)8-3-5-11-6-4-8/h2-6H2,1H3
InChIKeyVFYMXJNPTQRVLY-UHFFFAOYSA-N
MW223.25 g/mol
LogP-0.33
Rot. Bonds2

About 4-ethyl-4-morpholin-4-yl-1,3,2-dioxathietane 2,2-dioxide

4-ethyl-4-morpholin-4-yl-1,3,2-dioxathietane 2,2-dioxide (PubChem CID 139781712) has the molecular formula C7H13NO5S and a molecular weight of 223.25 g/mol. Its IUPAC name is 4-ethyl-4-morpholin-4-yl-1,3,2-dioxathietane 2,2-dioxide.

Molecular Properties

Compound Name4-ethyl-4-morpholin-4-yl-1,3,2-dioxathietane 2,2-dioxide
PubChem CID139781712
Molecular FormulaC7H13NO5S
Molecular Weight223.25 g/mol
Exact Mass223.05
IUPAC Name4-ethyl-4-morpholin-4-yl-1,3,2-dioxathietane 2,2-dioxide
SMILESCCC1(N2CCOCC2)OS(=O)(=O)O1
InChIInChI=1S/C7H13NO5S/c1-2-7(12-14(9,10)13-7)8-3-5-11-6-4-8/h2-6H2,1H3
InChIKeyVFYMXJNPTQRVLY-UHFFFAOYSA-N
XLogP-0.33
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-4-morpholin-4-yloxetan-2-one
CID 87390772
butane;bis(4-methylmorpholine)
CID 159010392
1-(1-morpholin-4-ylcyclopentyl)propan-1-ol
CID 79060024
4-(1-morpholin-4-ylcyclopropyl)morpholine
CID 121219677
(1S,5R)-1-morpholin-4-yl-6lambda6-thiabicyclo[3.2.0]heptane 6,6-dioxide
CID 871995
(1-ethyl-2-methylcycloheptyl)-morpholin-4-ylmethanone
CID 20549212
(6R,7aS)-7a-ethyl-6-methyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole
CID 92642297
1-(3,3-dimethylmorpholin-4-yl)-2-ethylsulfonylethanone
CID 48521830
ethane;4-ethylsulfanylmorpholine
CID 177159811
19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane
CID 6612303
ethane;4-methylmorpholine
CID 54432133
astatane;4-ethylmorpholine
CID 174883073

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-morpholin-4-yl-1,3,2-dioxathietane 2,2-dioxide?
The IUPAC name of 4-ethyl-4-morpholin-4-yl-1,3,2-dioxathietane 2,2-dioxide (CID 139781712) is 4-ethyl-4-morpholin-4-yl-1,3,2-dioxathietane 2,2-dioxide.
What is the SMILES notation for 4-ethyl-4-morpholin-4-yl-1,3,2-dioxathietane 2,2-dioxide?
The canonical SMILES for 4-ethyl-4-morpholin-4-yl-1,3,2-dioxathietane 2,2-dioxide is CCC1(N2CCOCC2)OS(=O)(=O)O1.
What is the InChIKey of 4-ethyl-4-morpholin-4-yl-1,3,2-dioxathietane 2,2-dioxide?
The InChIKey is VFYMXJNPTQRVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO5S/c1-2-7(12-14(9,10)13-7)8-3-5-11-6-4-8/h2-6H2,1H3.
What are the key properties of 4-ethyl-4-morpholin-4-yl-1,3,2-dioxathietane 2,2-dioxide?
4-ethyl-4-morpholin-4-yl-1,3,2-dioxathietane 2,2-dioxide has a molecular weight of 223.25 g/mol, XLogP of -0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-morpholin-4-yl-1,3,2-dioxathietane 2,2-dioxide is sourced from PubChem (CID 139781712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).