10-propan-2-yl-2λ6-thia-1,8-diazabicyclo[5.3.1]undecane 2,2-dioxide

C11H22N2O2S — CID 126685475

IUPAC10-propan-2-yl-2λ6-thia-1,8-diazabicyclo[5.3.1]undecane 2,2-dioxide
SMILESCC(C)C1CNC2CCCCS(=O)(=O)N1C2
InChIInChI=1S/C11H22N2O2S/c1-9(2)11-7-12-10-5-3-4-6-16(14,15)13(11)8-10/h9-12H,3-8H2,1-2H3
InChIKeyYDERMYJWVBYTAU-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.80
Rot. Bonds1

About 10-propan-2-yl-2λ6-thia-1,8-diazabicyclo[5.3.1]undecane 2,2-dioxide

10-propan-2-yl-2λ6-thia-1,8-diazabicyclo[5.3.1]undecane 2,2-dioxide (PubChem CID 126685475) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 10-propan-2-yl-2λ6-thia-1,8-diazabicyclo[5.3.1]undecane 2,2-dioxide.

Molecular Properties

Compound Name10-propan-2-yl-2λ6-thia-1,8-diazabicyclo[5.3.1]undecane 2,2-dioxide
PubChem CID126685475
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name10-propan-2-yl-2λ6-thia-1,8-diazabicyclo[5.3.1]undecane 2,2-dioxide
SMILESCC(C)C1CNC2CCCCS(=O)(=O)N1C2
InChIInChI=1S/C11H22N2O2S/c1-9(2)11-7-12-10-5-3-4-6-16(14,15)13(11)8-10/h9-12H,3-8H2,1-2H3
InChIKeyYDERMYJWVBYTAU-UHFFFAOYSA-N
XLogP0.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-dioxo-2λ6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)methanol
CID 123415162
8-methyl-2λ6-thia-1,6-diazabicyclo[3.3.1]nonane 2,2-dioxide
CID 118373745
2-[2-(2,2-dioxo-2λ6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)ethyl]cyclohexan-1-amine
CID 123333590
2-methyl-3-propan-2-ylthiazinane 1,1-dioxide
CID 90444187
3-methyl-3,9-diazabicyclo[3.3.2]decane
CID 84650080
3-(5-methyl-2-propan-2-ylpiperazin-1-yl)thiane 1,1-dioxide
CID 64938017
2-pyrrolidin-3-ylthiazinane 1,1-dioxide
CID 83819748
1-cyclopentyl-5-methyl-2-propan-2-ylpiperazine
CID 64954285
2-cyclopentyl-4-methyl-1,2,5-thiadiazepane 1,1-dioxide
CID 117016628
1-cycloheptyl-2,5-di(propan-2-yl)piperazine
CID 64936529
1-(1-cyclopentylethyl)-2,5-di(propan-2-yl)piperazine
CID 64936479
2-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
CID 81040229

Frequently Asked Questions

What is the IUPAC name of 10-propan-2-yl-2λ6-thia-1,8-diazabicyclo[5.3.1]undecane 2,2-dioxide?
The IUPAC name of 10-propan-2-yl-2λ6-thia-1,8-diazabicyclo[5.3.1]undecane 2,2-dioxide (CID 126685475) is 10-propan-2-yl-2λ6-thia-1,8-diazabicyclo[5.3.1]undecane 2,2-dioxide.
What is the SMILES notation for 10-propan-2-yl-2λ6-thia-1,8-diazabicyclo[5.3.1]undecane 2,2-dioxide?
The canonical SMILES for 10-propan-2-yl-2λ6-thia-1,8-diazabicyclo[5.3.1]undecane 2,2-dioxide is CC(C)C1CNC2CCCCS(=O)(=O)N1C2.
What is the InChIKey of 10-propan-2-yl-2λ6-thia-1,8-diazabicyclo[5.3.1]undecane 2,2-dioxide?
The InChIKey is YDERMYJWVBYTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-9(2)11-7-12-10-5-3-4-6-16(14,15)13(11)8-10/h9-12H,3-8H2,1-2H3.
What are the key properties of 10-propan-2-yl-2λ6-thia-1,8-diazabicyclo[5.3.1]undecane 2,2-dioxide?
10-propan-2-yl-2λ6-thia-1,8-diazabicyclo[5.3.1]undecane 2,2-dioxide has a molecular weight of 246.38 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-propan-2-yl-2λ6-thia-1,8-diazabicyclo[5.3.1]undecane 2,2-dioxide is sourced from PubChem (CID 126685475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).