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

C5H10O3S — CID 25021891

IUPAC(3S)-3-methoxythiolane 1,1-dioxide
SMILESCO[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C5H10O3S/c1-8-5-2-3-9(6,7)4-5/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyFUGUKLMWKCDKJU-YFKPBYRVSA-N
MW150.20 g/mol
LogP-0.18
Rot. Bonds1

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

(3S)-3-methoxythiolane 1,1-dioxide (PubChem CID 25021891) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is (3S)-3-methoxythiolane 1,1-dioxide.

Molecular Properties

Compound Name(3S)-3-methoxythiolane 1,1-dioxide
PubChem CID25021891
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name(3S)-3-methoxythiolane 1,1-dioxide
SMILESCO[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C5H10O3S/c1-8-5-2-3-9(6,7)4-5/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyFUGUKLMWKCDKJU-YFKPBYRVSA-N
XLogP-0.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Dimethoxy-tetrahydro-thiophene 1,1-dioxide
CID 214010
3,4-Diethoxytetrahydrothiophene 1,1-dioxide
CID 2831188
3-Butoxytetrahydrothiophene 1,1-dioxide
CID 350450
2-Methyl-1,4-oxathiane 4,4-dioxide
CID 2806244
Furan, tetrahydro-2-((methylsulfonyl)methyl)-
CID 27251
3-Methoxy-1lambda~6~-thiolane-1,1-dione
CID 287365
rac-(3R,4S)-3-bromo-4-methoxy-1lambda6-thiolane-1,1-dione
CID 121552779
3-Methylsulfonyloxytetrahydrothiophen-1,1-dioxide
CID 3113014
5-Methyl-1,2-oxathiolane 2,2-dioxide
CID 201115
3-(Methylpropoxy)thiolane-1,1-dione
CID 2831209
ST50179549
CID 3813693
3-Methylsulfonyloxy-thiolane
CID 15926107

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methoxythiolane 1,1-dioxide?
The IUPAC name of (3S)-3-methoxythiolane 1,1-dioxide (CID 25021891) is (3S)-3-methoxythiolane 1,1-dioxide.
What is the SMILES notation for (3S)-3-methoxythiolane 1,1-dioxide?
The canonical SMILES for (3S)-3-methoxythiolane 1,1-dioxide is CO[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3S)-3-methoxythiolane 1,1-dioxide?
The InChIKey is FUGUKLMWKCDKJU-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H10O3S/c1-8-5-2-3-9(6,7)4-5/h5H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (3S)-3-methoxythiolane 1,1-dioxide?
(3S)-3-methoxythiolane 1,1-dioxide has a molecular weight of 150.20 g/mol, XLogP of -0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methoxythiolane 1,1-dioxide is sourced from PubChem (CID 25021891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).