(3S)-3-ethoxythiolane 1,1-dioxide

C6H12O3S — CID 40511911

IUPAC(3S)-3-ethoxythiolane 1,1-dioxide
SMILESCCO[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C6H12O3S/c1-2-9-6-3-4-10(7,8)5-6/h6H,2-5H2,1H3/t6-/m0/s1
InChIKeyRZHPOELDGBAIIT-LURJTMIESA-N
MW164.23 g/mol
LogP0.21
Rot. Bonds2

About (3S)-3-ethoxythiolane 1,1-dioxide

(3S)-3-ethoxythiolane 1,1-dioxide (PubChem CID 40511911) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is (3S)-3-ethoxythiolane 1,1-dioxide.

Molecular Properties

Compound Name(3S)-3-ethoxythiolane 1,1-dioxide
PubChem CID40511911
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name(3S)-3-ethoxythiolane 1,1-dioxide
SMILESCCO[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C6H12O3S/c1-2-9-6-3-4-10(7,8)5-6/h6H,2-5H2,1H3/t6-/m0/s1
InChIKeyRZHPOELDGBAIIT-LURJTMIESA-N
XLogP0.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-propoxythiolane 1,1-dioxide
CID 51410713
(3S)-3-hexadecoxythiolane 1,1-dioxide
CID 98117286
(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
(3S)-3-[(2R)-2-ethylhexoxy]thiolane 1,1-dioxide
CID 51410709
N-[2-(1,1-dioxothiolan-3-yl)oxyethyl]-1,1-dioxothiolan-3-amine
CID 46398595
(3R)-3-cyclohexyloxythiolane 1,1-dioxide
CID 7039067
3-cyclohexyloxythiolane 1,1-dioxide
CID 4585423
bis(1,1-dioxothiolan-3-yl) carbonate
CID 2835679
(1,1-dioxothiolan-3-yl) formate
CID 90943234
ethyl 2-(1,1-dioxothian-4-yl)oxyacetate
CID 166884865

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethoxythiolane 1,1-dioxide?
The IUPAC name of (3S)-3-ethoxythiolane 1,1-dioxide (CID 40511911) is (3S)-3-ethoxythiolane 1,1-dioxide.
What is the SMILES notation for (3S)-3-ethoxythiolane 1,1-dioxide?
The canonical SMILES for (3S)-3-ethoxythiolane 1,1-dioxide is CCO[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3S)-3-ethoxythiolane 1,1-dioxide?
The InChIKey is RZHPOELDGBAIIT-LURJTMIESA-N. The full InChI is InChI=1S/C6H12O3S/c1-2-9-6-3-4-10(7,8)5-6/h6H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (3S)-3-ethoxythiolane 1,1-dioxide?
(3S)-3-ethoxythiolane 1,1-dioxide has a molecular weight of 164.23 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethoxythiolane 1,1-dioxide is sourced from PubChem (CID 40511911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).