2,4-dimethylthiane 1,1-dioxide

C7H14O2S — CID 543891

IUPAC2,4-dimethylthiane 1,1-dioxide
SMILESCC1CCS(=O)(=O)C(C)C1
InChIInChI=1S/C7H14O2S/c1-6-3-4-10(8,9)7(2)5-6/h6-7H,3-5H2,1-2H3
InChIKeyHXBNMSBUTCUQCZ-UHFFFAOYSA-N
MW162.25 g/mol
LogP1.22
Rot. Bonds

About 2,4-dimethylthiane 1,1-dioxide

2,4-dimethylthiane 1,1-dioxide (PubChem CID 543891) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is 2,4-dimethylthiane 1,1-dioxide.

Molecular Properties

Compound Name2,4-dimethylthiane 1,1-dioxide
PubChem CID543891
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name2,4-dimethylthiane 1,1-dioxide
SMILESCC1CCS(=O)(=O)C(C)C1
InChIInChI=1S/C7H14O2S/c1-6-3-4-10(8,9)7(2)5-6/h6-7H,3-5H2,1-2H3
InChIKeyHXBNMSBUTCUQCZ-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethylthiane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methylthiane, S,S-dioxide
CID 423304
2H-Thiopyran, tetrahydro-4-octyl-, 1,1-dioxide
CID 3049463
2H-Thiopyran, tetrahydro-2-methyl-4-pentyl-, 1,1-dioxide, (2R,4S)-rel-
CID 163115901
4-Methylthiane, S-oxide
CID 544095
3,3-Dimethyl-tetrahydro-thiopyran 1,1-dioxide
CID 21679422
4,4-Dimethyl-tetrahydro-thiopyran 1,1-dioxide
CID 21679423
2-Propan-2-ylthiolane 1,1-dioxide
CID 13525644
Propylidendiathylsulfon
CID 21025709
Ethylsulfonylmethylcyclohexane
CID 21031029
2,4-Dimethylthiane 1-oxide
CID 130381780
cis-2-Methyl-4-n-pentylthiane, S,S-dioxide
CID 543830
4-Methyl-2-(trifluoromethyl)thiane 1,1-dioxide
CID 123696154

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylthiane 1,1-dioxide?
The IUPAC name of 2,4-dimethylthiane 1,1-dioxide (CID 543891) is 2,4-dimethylthiane 1,1-dioxide.
What is the SMILES notation for 2,4-dimethylthiane 1,1-dioxide?
The canonical SMILES for 2,4-dimethylthiane 1,1-dioxide is CC1CCS(=O)(=O)C(C)C1.
What is the InChIKey of 2,4-dimethylthiane 1,1-dioxide?
The InChIKey is HXBNMSBUTCUQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c1-6-3-4-10(8,9)7(2)5-6/h6-7H,3-5H2,1-2H3.
What are the key properties of 2,4-dimethylthiane 1,1-dioxide?
2,4-dimethylthiane 1,1-dioxide has a molecular weight of 162.25 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylthiane 1,1-dioxide is sourced from PubChem (CID 543891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).