3-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]thiane 1,1-dioxide

C7H13O6PS — CID 171608483

IUPAC3-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]thiane 1,1-dioxide
SMILESO=P1(OC2CCCS(=O)(=O)C2)OCCO1
InChIInChI=1S/C7H13O6PS/c8-14(11-3-4-12-14)13-7-2-1-5-15(9,10)6-7/h7H,1-6H2
InChIKeyRZSVJYYQUXCNEP-UHFFFAOYSA-N
MW256.22 g/mol
LogP0.74
Rot. Bonds2

About 3-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]thiane 1,1-dioxide

3-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]thiane 1,1-dioxide (PubChem CID 171608483) has the molecular formula C7H13O6PS and a molecular weight of 256.22 g/mol. Its IUPAC name is 3-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]thiane 1,1-dioxide.

Molecular Properties

Compound Name3-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]thiane 1,1-dioxide
PubChem CID171608483
Molecular FormulaC7H13O6PS
Molecular Weight256.22 g/mol
Exact Mass256.02
IUPAC Name3-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]thiane 1,1-dioxide
SMILESO=P1(OC2CCCS(=O)(=O)C2)OCCO1
InChIInChI=1S/C7H13O6PS/c8-14(11-3-4-12-14)13-7-2-1-5-15(9,10)6-7/h7H,1-6H2
InChIKeyRZSVJYYQUXCNEP-UHFFFAOYSA-N
XLogP0.74
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1-dioxothian-3-yl)oxymethanamine
CID 105438258
3-cyclohexyloxythiolane 1,1-dioxide
CID 4585423
(3R)-3-cyclohexyloxythiolane 1,1-dioxide
CID 7039067
3-(1,3-oxazolidin-2-ylmethyl)thiane 1,1-dioxide
CID 117225725
(1,1-dioxothiolan-3-yl) formate
CID 90943234
N-(1,1-dioxothian-3-yl)oxan-3-amine
CID 63923831
4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]oxathiolane 2,2-dioxide
CID 172548148
bis(1,1-dioxothiolan-3-yl) carbonate
CID 2835679
(3S)-3-(chloromethyl)thiane 1,1-dioxide
CID 124510199
(1,1-dioxothian-3-yl)-methylazanide
CID 155624716
[(3S)-1,1-dioxothian-3-yl] 2-(2-methylphenyl)acetate
CID 95974361
(1,1-dioxothian-3-yl)methanamine;hydrochloride
CID 84669194

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]thiane 1,1-dioxide?
The IUPAC name of 3-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]thiane 1,1-dioxide (CID 171608483) is 3-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]thiane 1,1-dioxide.
What is the SMILES notation for 3-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]thiane 1,1-dioxide?
The canonical SMILES for 3-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]thiane 1,1-dioxide is O=P1(OC2CCCS(=O)(=O)C2)OCCO1.
What is the InChIKey of 3-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]thiane 1,1-dioxide?
The InChIKey is RZSVJYYQUXCNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O6PS/c8-14(11-3-4-12-14)13-7-2-1-5-15(9,10)6-7/h7H,1-6H2.
What are the key properties of 3-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]thiane 1,1-dioxide?
3-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]thiane 1,1-dioxide has a molecular weight of 256.22 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]thiane 1,1-dioxide is sourced from PubChem (CID 171608483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).