4,4-dimethyl-2-propan-2-yl-1,2,6-thiadiazocane 1,1-dioxide

C10H22N2O2S — CID 117015192

IUPAC4,4-dimethyl-2-propan-2-yl-1,2,6-thiadiazocane 1,1-dioxide
SMILESCC(C)N1CC(C)(C)CNCCS1(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-9(2)12-8-10(3,4)7-11-5-6-15(12,13)14/h9,11H,5-8H2,1-4H3
InChIKeyNBRDFZPKILIEKB-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.66
Rot. Bonds1

About 4,4-dimethyl-2-propan-2-yl-1,2,6-thiadiazocane 1,1-dioxide

4,4-dimethyl-2-propan-2-yl-1,2,6-thiadiazocane 1,1-dioxide (PubChem CID 117015192) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 4,4-dimethyl-2-propan-2-yl-1,2,6-thiadiazocane 1,1-dioxide.

Molecular Properties

Compound Name4,4-dimethyl-2-propan-2-yl-1,2,6-thiadiazocane 1,1-dioxide
PubChem CID117015192
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name4,4-dimethyl-2-propan-2-yl-1,2,6-thiadiazocane 1,1-dioxide
SMILESCC(C)N1CC(C)(C)CNCCS1(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-9(2)12-8-10(3,4)7-11-5-6-15(12,13)14/h9,11H,5-8H2,1-4H3
InChIKeyNBRDFZPKILIEKB-UHFFFAOYSA-N
XLogP0.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-propan-2-yl-1,2,6-thiadiazocane 1,1-dioxide?
The IUPAC name of 4,4-dimethyl-2-propan-2-yl-1,2,6-thiadiazocane 1,1-dioxide (CID 117015192) is 4,4-dimethyl-2-propan-2-yl-1,2,6-thiadiazocane 1,1-dioxide.
What is the SMILES notation for 4,4-dimethyl-2-propan-2-yl-1,2,6-thiadiazocane 1,1-dioxide?
The canonical SMILES for 4,4-dimethyl-2-propan-2-yl-1,2,6-thiadiazocane 1,1-dioxide is CC(C)N1CC(C)(C)CNCCS1(=O)=O.
What is the InChIKey of 4,4-dimethyl-2-propan-2-yl-1,2,6-thiadiazocane 1,1-dioxide?
The InChIKey is NBRDFZPKILIEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-9(2)12-8-10(3,4)7-11-5-6-15(12,13)14/h9,11H,5-8H2,1-4H3.
What are the key properties of 4,4-dimethyl-2-propan-2-yl-1,2,6-thiadiazocane 1,1-dioxide?
4,4-dimethyl-2-propan-2-yl-1,2,6-thiadiazocane 1,1-dioxide has a molecular weight of 234.36 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-propan-2-yl-1,2,6-thiadiazocane 1,1-dioxide is sourced from PubChem (CID 117015192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).