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

C11H24N2O2S — CID 117016561

IUPAC4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazocane 1,1-dioxide
SMILESCC(C)CN1CC(C)(C)NCCCS1(=O)=O
InChIInChI=1S/C11H24N2O2S/c1-10(2)8-13-9-11(3,4)12-6-5-7-16(13,14)15/h10,12H,5-9H2,1-4H3
InChIKeyKPDAZXWBNPQHRM-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.05
Rot. Bonds2

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

4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazocane 1,1-dioxide (PubChem CID 117016561) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazocane 1,1-dioxide.

Molecular Properties

Compound Name4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazocane 1,1-dioxide
PubChem CID117016561
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazocane 1,1-dioxide
SMILESCC(C)CN1CC(C)(C)NCCCS1(=O)=O
InChIInChI=1S/C11H24N2O2S/c1-10(2)8-13-9-11(3,4)12-6-5-7-16(13,14)15/h10,12H,5-9H2,1-4H3
InChIKeyKPDAZXWBNPQHRM-UHFFFAOYSA-N
XLogP1.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazepane 1,1-dioxide
CID 117016679
4,4-dimethyl-2-(3-methylbutyl)-1,2,5-thiadiazepane 1,1-dioxide
CID 117016694
2-(2-methoxyethyl)-4,4-dimethyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117016564
2-(2-methylpropyl)-1,2,5-thiadiazocane 1,1-dioxide
CID 117015213
2-(2-methylpropyl)-1,2,6-thiadiazocane 1,1-dioxide
CID 117015143
3,3-dimethyl-1-(2-methylpropyl)piperazine
CID 64832836
2-(2-methylpropyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 58799600
3,3-dimethyl-1-octan-2-yl-1,4-diazepane
CID 64943236
2-cyclopropyl-4,4-dimethyl-1,2,5-thiadiazepane 1,1-dioxide
CID 117016676
3,3-dimethyl-1-(5-methylhexan-2-yl)piperazine
CID 64954024
3,3-dimethyl-1-propan-2-yl-1,4-diazocane
CID 117016451
(1R,5R)-1,5-dimethyl-3-(2-methylpropyl)-3,7-diazabicyclo[3.3.1]nonane
CID 98114731

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazocane 1,1-dioxide?
The IUPAC name of 4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazocane 1,1-dioxide (CID 117016561) is 4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazocane 1,1-dioxide.
What is the SMILES notation for 4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazocane 1,1-dioxide?
The canonical SMILES for 4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazocane 1,1-dioxide is CC(C)CN1CC(C)(C)NCCCS1(=O)=O.
What is the InChIKey of 4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazocane 1,1-dioxide?
The InChIKey is KPDAZXWBNPQHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-10(2)8-13-9-11(3,4)12-6-5-7-16(13,14)15/h10,12H,5-9H2,1-4H3.
What are the key properties of 4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazocane 1,1-dioxide?
4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazocane 1,1-dioxide has a molecular weight of 248.39 g/mol, XLogP of 1.05, 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-thiadiazocane 1,1-dioxide is sourced from PubChem (CID 117016561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).