(3R,4R)-3,4-dimethylthiane 1,1-dioxide

C7H14O2S — CID 58714657

IUPAC(3R,4R)-3,4-dimethylthiane 1,1-dioxide
SMILESC[C@@H]1CCS(=O)(=O)C[C@@H]1C
InChIInChI=1S/C7H14O2S/c1-6-3-4-10(8,9)5-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyAEKJGBMJVLSTQD-RQJHMYQMSA-N
MW162.25 g/mol
LogP1.08
Rot. Bonds

About (3R,4R)-3,4-dimethylthiane 1,1-dioxide

(3R,4R)-3,4-dimethylthiane 1,1-dioxide (PubChem CID 58714657) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is (3R,4R)-3,4-dimethylthiane 1,1-dioxide.

Molecular Properties

Compound Name(3R,4R)-3,4-dimethylthiane 1,1-dioxide
PubChem CID58714657
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name(3R,4R)-3,4-dimethylthiane 1,1-dioxide
SMILESC[C@@H]1CCS(=O)(=O)C[C@@H]1C
InChIInChI=1S/C7H14O2S/c1-6-3-4-10(8,9)5-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyAEKJGBMJVLSTQD-RQJHMYQMSA-N
XLogP1.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1,1-dioxothiane-3-carboxylic acid
CID 84772401
(3R)-3-methylsulfanylthiolane 1,1-dioxide
CID 51415830
(3S)-1,1-dioxothiolan-3-ol
CID 98144245
1-(1,1-dioxothiolan-3-yl)-2-methylcyclopropan-1-amine
CID 115337362
3-ethyl-5-methyl-1,4-thiazepane 1,1-dioxide
CID 66233541
2-(1,1-dioxothiolan-3-yl)propanoic acid
CID 57370502
N-(2-methylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 16784113
(3S)-1,1-dioxothiolane-3-sulfonate
CID 7088081
3,4-diethylthiane 1,1-dioxide
CID 89014095
5-ethyl-3-methylthiepane 1,1-dioxide
CID 137466910
5-methyl-3-propan-2-yl-1,4-thiazepane 1,1-dioxide
CID 79395756
(3R)-1,1-dioxothiolan-3-amine;hydrochloride
CID 67041261

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-dimethylthiane 1,1-dioxide?
The IUPAC name of (3R,4R)-3,4-dimethylthiane 1,1-dioxide (CID 58714657) is (3R,4R)-3,4-dimethylthiane 1,1-dioxide.
What is the SMILES notation for (3R,4R)-3,4-dimethylthiane 1,1-dioxide?
The canonical SMILES for (3R,4R)-3,4-dimethylthiane 1,1-dioxide is C[C@@H]1CCS(=O)(=O)C[C@@H]1C.
What is the InChIKey of (3R,4R)-3,4-dimethylthiane 1,1-dioxide?
The InChIKey is AEKJGBMJVLSTQD-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H14O2S/c1-6-3-4-10(8,9)5-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of (3R,4R)-3,4-dimethylthiane 1,1-dioxide?
(3R,4R)-3,4-dimethylthiane 1,1-dioxide has a molecular weight of 162.25 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-dimethylthiane 1,1-dioxide is sourced from PubChem (CID 58714657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).