3-(5-methyl-2-propan-2-ylpiperazin-1-yl)thiane 1,1-dioxide

C13H26N2O2S — CID 64938017

IUPAC3-(5-methyl-2-propan-2-ylpiperazin-1-yl)thiane 1,1-dioxide
SMILESCC1CN(C2CCCS(=O)(=O)C2)C(C(C)C)CN1
InChIInChI=1S/C13H26N2O2S/c1-10(2)13-7-14-11(3)8-15(13)12-5-4-6-18(16,17)9-12/h10-14H,4-9H2,1-3H3
InChIKeyCYORKWBSZZWJQL-UHFFFAOYSA-N
MW274.43 g/mol
LogP0.88
Rot. Bonds2

About 3-(5-methyl-2-propan-2-ylpiperazin-1-yl)thiane 1,1-dioxide

3-(5-methyl-2-propan-2-ylpiperazin-1-yl)thiane 1,1-dioxide (PubChem CID 64938017) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 3-(5-methyl-2-propan-2-ylpiperazin-1-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name3-(5-methyl-2-propan-2-ylpiperazin-1-yl)thiane 1,1-dioxide
PubChem CID64938017
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name3-(5-methyl-2-propan-2-ylpiperazin-1-yl)thiane 1,1-dioxide
SMILESCC1CN(C2CCCS(=O)(=O)C2)C(C(C)C)CN1
InChIInChI=1S/C13H26N2O2S/c1-10(2)13-7-14-11(3)8-15(13)12-5-4-6-18(16,17)9-12/h10-14H,4-9H2,1-3H3
InChIKeyCYORKWBSZZWJQL-UHFFFAOYSA-N
XLogP0.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-5-methyl-2-propan-2-ylpiperazine
CID 64954285
9-methyl-3-(5-methyl-2-propan-2-ylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonane
CID 65471309
5-methyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine
CID 64937820
5-methyl-1-(4-methylsulfanylcyclohexyl)-2-propan-2-ylpiperazine
CID 114122816
3-(3,7-dimethyl-1,5-diazocan-1-yl)thiane 1,1-dioxide
CID 63924763
1-cyclopropyl-2,5-di(propan-2-yl)piperazine
CID 64954463
1-cycloheptyl-2,5-di(propan-2-yl)piperazine
CID 64936529
1-(2,4-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpiperazine
CID 64937246
2,5-dimethyl-1-(4-propan-2-ylcycloheptyl)piperazine
CID 65089178
3-(1,1-dioxothian-3-yl)-2-propan-2-ylimidazolidin-4-one
CID 83257943
2,5-dimethyl-1-(4-propan-2-ylcyclohexyl)piperazine
CID 64979562
3-(6-methyl-1,4-diazepan-1-yl)thiane 1,1-dioxide
CID 63922407

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-propan-2-ylpiperazin-1-yl)thiane 1,1-dioxide?
The IUPAC name of 3-(5-methyl-2-propan-2-ylpiperazin-1-yl)thiane 1,1-dioxide (CID 64938017) is 3-(5-methyl-2-propan-2-ylpiperazin-1-yl)thiane 1,1-dioxide.
What is the SMILES notation for 3-(5-methyl-2-propan-2-ylpiperazin-1-yl)thiane 1,1-dioxide?
The canonical SMILES for 3-(5-methyl-2-propan-2-ylpiperazin-1-yl)thiane 1,1-dioxide is CC1CN(C2CCCS(=O)(=O)C2)C(C(C)C)CN1.
What is the InChIKey of 3-(5-methyl-2-propan-2-ylpiperazin-1-yl)thiane 1,1-dioxide?
The InChIKey is CYORKWBSZZWJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-10(2)13-7-14-11(3)8-15(13)12-5-4-6-18(16,17)9-12/h10-14H,4-9H2,1-3H3.
What are the key properties of 3-(5-methyl-2-propan-2-ylpiperazin-1-yl)thiane 1,1-dioxide?
3-(5-methyl-2-propan-2-ylpiperazin-1-yl)thiane 1,1-dioxide has a molecular weight of 274.43 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-propan-2-ylpiperazin-1-yl)thiane 1,1-dioxide is sourced from PubChem (CID 64938017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).