2,7-dimethyl-1,2,7-thiadiazepane 1,1-dioxide

C6H14N2O2S — CID 59417812

IUPAC2,7-dimethyl-1,2,7-thiadiazepane 1,1-dioxide
SMILESCN1CCCCN(C)S1(=O)=O
InChIInChI=1S/C6H14N2O2S/c1-7-5-3-4-6-8(2)11(7,9)10/h3-6H2,1-2H3
InChIKeyZBLSOTQKXFFJON-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.11
Rot. Bonds

About 2,7-dimethyl-1,2,7-thiadiazepane 1,1-dioxide

2,7-dimethyl-1,2,7-thiadiazepane 1,1-dioxide (PubChem CID 59417812) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 2,7-dimethyl-1,2,7-thiadiazepane 1,1-dioxide.

Molecular Properties

Compound Name2,7-dimethyl-1,2,7-thiadiazepane 1,1-dioxide
PubChem CID59417812
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name2,7-dimethyl-1,2,7-thiadiazepane 1,1-dioxide
SMILESCN1CCCCN(C)S1(=O)=O
InChIInChI=1S/C6H14N2O2S/c1-7-5-3-4-6-8(2)11(7,9)10/h3-6H2,1-2H3
InChIKeyZBLSOTQKXFFJON-UHFFFAOYSA-N
XLogP-0.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-1,2,7-thiadiazepane 1,1-dioxide?
The IUPAC name of 2,7-dimethyl-1,2,7-thiadiazepane 1,1-dioxide (CID 59417812) is 2,7-dimethyl-1,2,7-thiadiazepane 1,1-dioxide.
What is the SMILES notation for 2,7-dimethyl-1,2,7-thiadiazepane 1,1-dioxide?
The canonical SMILES for 2,7-dimethyl-1,2,7-thiadiazepane 1,1-dioxide is CN1CCCCN(C)S1(=O)=O.
What is the InChIKey of 2,7-dimethyl-1,2,7-thiadiazepane 1,1-dioxide?
The InChIKey is ZBLSOTQKXFFJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-7-5-3-4-6-8(2)11(7,9)10/h3-6H2,1-2H3.
What are the key properties of 2,7-dimethyl-1,2,7-thiadiazepane 1,1-dioxide?
2,7-dimethyl-1,2,7-thiadiazepane 1,1-dioxide has a molecular weight of 178.26 g/mol, XLogP of -0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-1,2,7-thiadiazepane 1,1-dioxide is sourced from PubChem (CID 59417812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).