4-ethyl-2-(4-ethyl-2-methylthiolan-2-yl)sulfonyl-2-methylthiolane

C14H26O2S3 — CID 140996920

IUPAC4-ethyl-2-(4-ethyl-2-methylthiolan-2-yl)sulfonyl-2-methylthiolane
SMILESCCC1CSC(C)(S(=O)(=O)C2(C)CC(CC)CS2)C1
InChIInChI=1S/C14H26O2S3/c1-5-11-7-13(3,17-9-11)19(15,16)14(4)8-12(6-2)10-18-14/h11-12H,5-10H2,1-4H3
InChIKeyCSTSTDNTQPQGEC-UHFFFAOYSA-N
MW322.56 g/mol
LogP4.16
Rot. Bonds4

About 4-ethyl-2-(4-ethyl-2-methylthiolan-2-yl)sulfonyl-2-methylthiolane

4-ethyl-2-(4-ethyl-2-methylthiolan-2-yl)sulfonyl-2-methylthiolane (PubChem CID 140996920) has the molecular formula C14H26O2S3 and a molecular weight of 322.56 g/mol. Its IUPAC name is 4-ethyl-2-(4-ethyl-2-methylthiolan-2-yl)sulfonyl-2-methylthiolane.

Molecular Properties

Compound Name4-ethyl-2-(4-ethyl-2-methylthiolan-2-yl)sulfonyl-2-methylthiolane
PubChem CID140996920
Molecular FormulaC14H26O2S3
Molecular Weight322.56 g/mol
Exact Mass322.11
IUPAC Name4-ethyl-2-(4-ethyl-2-methylthiolan-2-yl)sulfonyl-2-methylthiolane
SMILESCCC1CSC(C)(S(=O)(=O)C2(C)CC(CC)CS2)C1
InChIInChI=1S/C14H26O2S3/c1-5-11-7-13(3,17-9-11)19(15,16)14(4)8-12(6-2)10-18-14/h11-12H,5-10H2,1-4H3
InChIKeyCSTSTDNTQPQGEC-UHFFFAOYSA-N
XLogP4.16
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.56
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-n-Butylthiolane, S,S-dioxide
CID 543691
2-Propyl-3-ethyltetramethylene sulfone
CID 129809102
2,2-Di(propan-2-yl)-1,3-dithiolane 1,1,3,3-tetraoxide
CID 269573
2,4-Diethylthiolane 1,1-dioxide
CID 240319
2,3,4,5-Tetramethylthiolane 1,1-dioxide
CID 14818369
4-Butyl-2-methylthiolane 1,1-dioxide
CID 15709060
3-Propylthiolane 1,1-dioxide
CID 20034328
4-Ethyl-2,2-dimethylthiolane 1,1-dioxide
CID 20158703
3-Ethyl-2-propylthiolane 1,1-dioxide
CID 20206485
3-(2,2-Dimethylpropyl)thiolane 1,1-dioxide
CID 21056553
2,5-Diethyl-3-methylthiolane 1,1-dioxide
CID 21438119
3,4-Diethyl-2,5-dimethylthiolane 1,1-dioxide
CID 21438121

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-ethyl-2-methylthiolan-2-yl)sulfonyl-2-methylthiolane?
The IUPAC name of 4-ethyl-2-(4-ethyl-2-methylthiolan-2-yl)sulfonyl-2-methylthiolane (CID 140996920) is 4-ethyl-2-(4-ethyl-2-methylthiolan-2-yl)sulfonyl-2-methylthiolane.
What is the SMILES notation for 4-ethyl-2-(4-ethyl-2-methylthiolan-2-yl)sulfonyl-2-methylthiolane?
The canonical SMILES for 4-ethyl-2-(4-ethyl-2-methylthiolan-2-yl)sulfonyl-2-methylthiolane is CCC1CSC(C)(S(=O)(=O)C2(C)CC(CC)CS2)C1.
What is the InChIKey of 4-ethyl-2-(4-ethyl-2-methylthiolan-2-yl)sulfonyl-2-methylthiolane?
The InChIKey is CSTSTDNTQPQGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2S3/c1-5-11-7-13(3,17-9-11)19(15,16)14(4)8-12(6-2)10-18-14/h11-12H,5-10H2,1-4H3.
What are the key properties of 4-ethyl-2-(4-ethyl-2-methylthiolan-2-yl)sulfonyl-2-methylthiolane?
4-ethyl-2-(4-ethyl-2-methylthiolan-2-yl)sulfonyl-2-methylthiolane has a molecular weight of 322.56 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-ethyl-2-methylthiolan-2-yl)sulfonyl-2-methylthiolane is sourced from PubChem (CID 140996920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).