(3R)-3-propoxythiolane 1,1-dioxide

C7H14O3S — CID 51410713

IUPAC(3R)-3-propoxythiolane 1,1-dioxide
SMILESCCCO[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C7H14O3S/c1-2-4-10-7-3-5-11(8,9)6-7/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyICUWBSAQKRJBKU-SSDOTTSWSA-N
MW178.25 g/mol
LogP0.60
Rot. Bonds3

About (3R)-3-propoxythiolane 1,1-dioxide

(3R)-3-propoxythiolane 1,1-dioxide (PubChem CID 51410713) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is (3R)-3-propoxythiolane 1,1-dioxide.

Molecular Properties

Compound Name(3R)-3-propoxythiolane 1,1-dioxide
PubChem CID51410713
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name(3R)-3-propoxythiolane 1,1-dioxide
SMILESCCCO[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C7H14O3S/c1-2-4-10-7-3-5-11(8,9)6-7/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyICUWBSAQKRJBKU-SSDOTTSWSA-N
XLogP0.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-hexadecoxythiolane 1,1-dioxide
CID 98117286
(3S)-3-ethoxythiolane 1,1-dioxide
CID 40511911
(3S)-3-[2-[2-[(3S)-1,1-dioxothiolan-3-yl]oxyethoxy]ethoxy]thiolane 1,1-dioxide
CID 40549365
2-(1,1-dioxothiolan-3-yl)oxy-N-ethylethanamine
CID 62336115
2-(1,1-dioxothiolan-3-yl)oxyethyl-trimethylazanium iodide
CID 12045039
N-[2-(1,1-dioxothiolan-3-yl)oxyethyl]-1,1-dioxothiolan-3-amine
CID 46398595
(3S)-3-[(2R)-2-ethylhexoxy]thiolane 1,1-dioxide
CID 51410709
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[3-[(3S)-1,1-dioxothiolan-3-yl]oxypropyl]formamide
CID 99976860
[(3R)-1,1-dioxothiolan-3-yl] sulfate
CID 7058872
4-(10-methoxydecoxy)thiane 1,1-dioxide
CID 164916307
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[5-[(3R)-1,1-dioxothiolan-3-yl]oxypentyl]formamide
CID 99976873
2-[(3R)-1,1-dioxothiolan-3-yl]oxyethyl benzoate
CID 99976273

Frequently Asked Questions

What is the IUPAC name of (3R)-3-propoxythiolane 1,1-dioxide?
The IUPAC name of (3R)-3-propoxythiolane 1,1-dioxide (CID 51410713) is (3R)-3-propoxythiolane 1,1-dioxide.
What is the SMILES notation for (3R)-3-propoxythiolane 1,1-dioxide?
The canonical SMILES for (3R)-3-propoxythiolane 1,1-dioxide is CCCO[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3R)-3-propoxythiolane 1,1-dioxide?
The InChIKey is ICUWBSAQKRJBKU-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H14O3S/c1-2-4-10-7-3-5-11(8,9)6-7/h7H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of (3R)-3-propoxythiolane 1,1-dioxide?
(3R)-3-propoxythiolane 1,1-dioxide has a molecular weight of 178.25 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-propoxythiolane 1,1-dioxide is sourced from PubChem (CID 51410713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).