2,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide

C7H16N2O2S — CID 117016571

IUPAC2,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide
SMILESCC1CNCCCS(=O)(=O)N1C
InChIInChI=1S/C7H16N2O2S/c1-7-6-8-4-3-5-12(10,11)9(7)2/h7-8H,3-6H2,1-2H3
InChIKeyIUQOZLRJKBHNKI-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.37
Rot. Bonds

About 2,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide

2,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide (PubChem CID 117016571) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide.

Molecular Properties

Compound Name2,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide
PubChem CID117016571
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name2,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide
SMILESCC1CNCCCS(=O)(=O)N1C
InChIInChI=1S/C7H16N2O2S/c1-7-6-8-4-3-5-12(10,11)9(7)2/h7-8H,3-6H2,1-2H3
InChIKeyIUQOZLRJKBHNKI-UHFFFAOYSA-N
XLogP-0.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-3-methyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117016572
2-ethyl-3-methyl-1,2,5-thiadiazepane 1,1-dioxide
CID 117016704
2-butan-2-yl-3-methyl-1,2,5-thiadiazepane 1,1-dioxide
CID 117016711
2-methyl-1,4-diazepane-1-sulfonamide
CID 130848433
2-propyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117015208
2-(2-fluorophenyl)-3-methyl-1,2,5-thiadiazepane 1,1-dioxide
CID 117016743
2-(2-ethylphenyl)-3-methyl-1,2,5-thiadiazepane 1,1-dioxide
CID 117016741
2-methyl-1-(methylsulfonylmethylsulfonyl)piperazine
CID 82842565
2-cyclopropyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117015210
2-cyclopentyl-3,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117016611
2-[(2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
CID 81039917
3-(2-methylpiperazin-1-yl)sulfonylthiolane 1,1-dioxide
CID 62672783

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide?
The IUPAC name of 2,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide (CID 117016571) is 2,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide.
What is the SMILES notation for 2,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide?
The canonical SMILES for 2,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide is CC1CNCCCS(=O)(=O)N1C.
What is the InChIKey of 2,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide?
The InChIKey is IUQOZLRJKBHNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-7-6-8-4-3-5-12(10,11)9(7)2/h7-8H,3-6H2,1-2H3.
What are the key properties of 2,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide?
2,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide has a molecular weight of 192.28 g/mol, XLogP of -0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide is sourced from PubChem (CID 117016571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).