2,7-di(propan-2-yl)-1,2,7-thiadiazepane 1,1-dioxide

C10H22N2O2S — CID 59539170

IUPAC2,7-di(propan-2-yl)-1,2,7-thiadiazepane 1,1-dioxide
SMILESCC(C)N1CCCCN(C(C)C)S1(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-9(2)11-7-5-6-8-12(10(3)4)15(11,13)14/h9-10H,5-8H2,1-4H3
InChIKeyJXNPZQZUAZLDMT-UHFFFAOYSA-N
MW234.36 g/mol
LogP1.45
Rot. Bonds2

About 2,7-di(propan-2-yl)-1,2,7-thiadiazepane 1,1-dioxide

2,7-di(propan-2-yl)-1,2,7-thiadiazepane 1,1-dioxide (PubChem CID 59539170) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 2,7-di(propan-2-yl)-1,2,7-thiadiazepane 1,1-dioxide.

Molecular Properties

Compound Name2,7-di(propan-2-yl)-1,2,7-thiadiazepane 1,1-dioxide
PubChem CID59539170
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name2,7-di(propan-2-yl)-1,2,7-thiadiazepane 1,1-dioxide
SMILESCC(C)N1CCCCN(C(C)C)S1(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-9(2)11-7-5-6-8-12(10(3)4)15(11,13)14/h9-10H,5-8H2,1-4H3
InChIKeyJXNPZQZUAZLDMT-UHFFFAOYSA-N
XLogP1.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-di(propan-2-yl)-1,2,7-thiadiazepane 1,1-dioxide?
The IUPAC name of 2,7-di(propan-2-yl)-1,2,7-thiadiazepane 1,1-dioxide (CID 59539170) is 2,7-di(propan-2-yl)-1,2,7-thiadiazepane 1,1-dioxide.
What is the SMILES notation for 2,7-di(propan-2-yl)-1,2,7-thiadiazepane 1,1-dioxide?
The canonical SMILES for 2,7-di(propan-2-yl)-1,2,7-thiadiazepane 1,1-dioxide is CC(C)N1CCCCN(C(C)C)S1(=O)=O.
What is the InChIKey of 2,7-di(propan-2-yl)-1,2,7-thiadiazepane 1,1-dioxide?
The InChIKey is JXNPZQZUAZLDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-9(2)11-7-5-6-8-12(10(3)4)15(11,13)14/h9-10H,5-8H2,1-4H3.
What are the key properties of 2,7-di(propan-2-yl)-1,2,7-thiadiazepane 1,1-dioxide?
2,7-di(propan-2-yl)-1,2,7-thiadiazepane 1,1-dioxide has a molecular weight of 234.36 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(propan-2-yl)-1,2,7-thiadiazepane 1,1-dioxide is sourced from PubChem (CID 59539170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).