4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazepane 1,1-dioxide

C10H22N2O2S — CID 117016679

IUPAC4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazepane 1,1-dioxide
SMILESCC(C)CN1CC(C)(C)NCCS1(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-9(2)7-12-8-10(3,4)11-5-6-15(12,13)14/h9,11H,5-8H2,1-4H3
InChIKeyRRKKWNVGVIOUNE-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.66
Rot. Bonds2

About 4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazepane 1,1-dioxide

4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazepane 1,1-dioxide (PubChem CID 117016679) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazepane 1,1-dioxide.

Molecular Properties

Compound Name4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazepane 1,1-dioxide
PubChem CID117016679
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazepane 1,1-dioxide
SMILESCC(C)CN1CC(C)(C)NCCS1(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-9(2)7-12-8-10(3,4)11-5-6-15(12,13)14/h9,11H,5-8H2,1-4H3
InChIKeyRRKKWNVGVIOUNE-UHFFFAOYSA-N
XLogP0.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

Analyze 4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazepane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazocane 1,1-dioxide
CID 117016561
4,4-dimethyl-2-(3-methylbutyl)-1,2,5-thiadiazepane 1,1-dioxide
CID 117016694
2-(2-methylpropyl)-1,2,6-thiadiazocane 1,1-dioxide
CID 117015143
2-(2-methoxyethyl)-4,4-dimethyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117016564
3,3-dimethyl-1-(2-methylpropyl)piperazine
CID 64832836
2-cyclopropyl-4,4-dimethyl-1,2,5-thiadiazepane 1,1-dioxide
CID 117016676
2-(2-methylpropyl)-1,2,5-thiadiazocane 1,1-dioxide
CID 117015213
4,4-dimethyl-2-phenyl-1,2,5-thiadiazepane 1,1-dioxide
CID 117016696
3,3-dimethyl-2-(3-methylbutyl)-1,2,5-thiadiazepane 1,1-dioxide
CID 117016778
3,3-dimethyl-1-(5-methylhexan-2-yl)piperazine
CID 64954024
4,4-dimethyl-2-propan-2-yl-1,2,6-thiadiazocane 1,1-dioxide
CID 117015192
2-(2-methylpropyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 58799600

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazepane 1,1-dioxide?
The IUPAC name of 4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazepane 1,1-dioxide (CID 117016679) is 4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazepane 1,1-dioxide.
What is the SMILES notation for 4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazepane 1,1-dioxide?
The canonical SMILES for 4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazepane 1,1-dioxide is CC(C)CN1CC(C)(C)NCCS1(=O)=O.
What is the InChIKey of 4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazepane 1,1-dioxide?
The InChIKey is RRKKWNVGVIOUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-9(2)7-12-8-10(3,4)11-5-6-15(12,13)14/h9,11H,5-8H2,1-4H3.
What are the key properties of 4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazepane 1,1-dioxide?
4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazepane 1,1-dioxide has a molecular weight of 234.36 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazepane 1,1-dioxide is sourced from PubChem (CID 117016679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).