9-methyl-1,4,7-thiadiazecane 1,1-dioxide

C8H18N2O2S — CID 138668362

IUPAC9-methyl-1,4,7-thiadiazecane 1,1-dioxide
SMILESCC1CNCCNCCS(=O)(=O)C1
InChIInChI=1S/C8H18N2O2S/c1-8-6-10-3-2-9-4-5-13(11,12)7-8/h8-10H,2-7H2,1H3
InChIKeyCZTKAZKQXQPXJV-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.77
Rot. Bonds

About 9-methyl-1,4,7-thiadiazecane 1,1-dioxide

9-methyl-1,4,7-thiadiazecane 1,1-dioxide (PubChem CID 138668362) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 9-methyl-1,4,7-thiadiazecane 1,1-dioxide.

Molecular Properties

Compound Name9-methyl-1,4,7-thiadiazecane 1,1-dioxide
PubChem CID138668362
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name9-methyl-1,4,7-thiadiazecane 1,1-dioxide
SMILESCC1CNCCNCCS(=O)(=O)C1
InChIInChI=1S/C8H18N2O2S/c1-8-6-10-3-2-9-4-5-13(11,12)7-8/h8-10H,2-7H2,1H3
InChIKeyCZTKAZKQXQPXJV-UHFFFAOYSA-N
XLogP-0.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,4,7-thiadiazecane 1,1-dioxide?
The IUPAC name of 9-methyl-1,4,7-thiadiazecane 1,1-dioxide (CID 138668362) is 9-methyl-1,4,7-thiadiazecane 1,1-dioxide.
What is the SMILES notation for 9-methyl-1,4,7-thiadiazecane 1,1-dioxide?
The canonical SMILES for 9-methyl-1,4,7-thiadiazecane 1,1-dioxide is CC1CNCCNCCS(=O)(=O)C1.
What is the InChIKey of 9-methyl-1,4,7-thiadiazecane 1,1-dioxide?
The InChIKey is CZTKAZKQXQPXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-8-6-10-3-2-9-4-5-13(11,12)7-8/h8-10H,2-7H2,1H3.
What are the key properties of 9-methyl-1,4,7-thiadiazecane 1,1-dioxide?
9-methyl-1,4,7-thiadiazecane 1,1-dioxide has a molecular weight of 206.31 g/mol, XLogP of -0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,4,7-thiadiazecane 1,1-dioxide is sourced from PubChem (CID 138668362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).