4-(2,5,5-trimethylpiperazin-1-yl)thiane 1,1-dioxide

C12H24N2O2S — CID 64933302

IUPAC4-(2,5,5-trimethylpiperazin-1-yl)thiane 1,1-dioxide
SMILESCC1CNC(C)(C)CN1C1CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O2S/c1-10-8-13-12(2,3)9-14(10)11-4-6-17(15,16)7-5-11/h10-11,13H,4-9H2,1-3H3
InChIKeyWOUMCSCAHVOQDE-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.64
Rot. Bonds1

About 4-(2,5,5-trimethylpiperazin-1-yl)thiane 1,1-dioxide

4-(2,5,5-trimethylpiperazin-1-yl)thiane 1,1-dioxide (PubChem CID 64933302) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 4-(2,5,5-trimethylpiperazin-1-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(2,5,5-trimethylpiperazin-1-yl)thiane 1,1-dioxide
PubChem CID64933302
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name4-(2,5,5-trimethylpiperazin-1-yl)thiane 1,1-dioxide
SMILESCC1CNC(C)(C)CN1C1CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O2S/c1-10-8-13-12(2,3)9-14(10)11-4-6-17(15,16)7-5-11/h10-11,13H,4-9H2,1-3H3
InChIKeyWOUMCSCAHVOQDE-UHFFFAOYSA-N
XLogP0.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5,5-trimethylpiperazin-1-yl)thiane 1,1-dioxide?
The IUPAC name of 4-(2,5,5-trimethylpiperazin-1-yl)thiane 1,1-dioxide (CID 64933302) is 4-(2,5,5-trimethylpiperazin-1-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(2,5,5-trimethylpiperazin-1-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-(2,5,5-trimethylpiperazin-1-yl)thiane 1,1-dioxide is CC1CNC(C)(C)CN1C1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(2,5,5-trimethylpiperazin-1-yl)thiane 1,1-dioxide?
The InChIKey is WOUMCSCAHVOQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-10-8-13-12(2,3)9-14(10)11-4-6-17(15,16)7-5-11/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 4-(2,5,5-trimethylpiperazin-1-yl)thiane 1,1-dioxide?
4-(2,5,5-trimethylpiperazin-1-yl)thiane 1,1-dioxide has a molecular weight of 260.40 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5,5-trimethylpiperazin-1-yl)thiane 1,1-dioxide is sourced from PubChem (CID 64933302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).