2-(piperazin-1-ylmethyl)thiane 1,1-dioxide

C10H20N2O2S — CID 104519129

IUPAC2-(piperazin-1-ylmethyl)thiane 1,1-dioxide
SMILESO=S1(=O)CCCCC1CN1CCNCC1
InChIInChI=1S/C10H20N2O2S/c13-15(14)8-2-1-3-10(15)9-12-6-4-11-5-7-12/h10-11H,1-9H2
InChIKeyDUHHKVBDFGQIJM-UHFFFAOYSA-N
MW232.35 g/mol
LogP-0.14
Rot. Bonds2

About 2-(piperazin-1-ylmethyl)thiane 1,1-dioxide

2-(piperazin-1-ylmethyl)thiane 1,1-dioxide (PubChem CID 104519129) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-(piperazin-1-ylmethyl)thiane 1,1-dioxide.

Molecular Properties

Compound Name2-(piperazin-1-ylmethyl)thiane 1,1-dioxide
PubChem CID104519129
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-(piperazin-1-ylmethyl)thiane 1,1-dioxide
SMILESO=S1(=O)CCCCC1CN1CCNCC1
InChIInChI=1S/C10H20N2O2S/c13-15(14)8-2-1-3-10(15)9-12-6-4-11-5-7-12/h10-11H,1-9H2
InChIKeyDUHHKVBDFGQIJM-UHFFFAOYSA-N
XLogP-0.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(piperazin-1-ylmethyl)thiane 1,1-dioxide?
The IUPAC name of 2-(piperazin-1-ylmethyl)thiane 1,1-dioxide (CID 104519129) is 2-(piperazin-1-ylmethyl)thiane 1,1-dioxide.
What is the SMILES notation for 2-(piperazin-1-ylmethyl)thiane 1,1-dioxide?
The canonical SMILES for 2-(piperazin-1-ylmethyl)thiane 1,1-dioxide is O=S1(=O)CCCCC1CN1CCNCC1.
What is the InChIKey of 2-(piperazin-1-ylmethyl)thiane 1,1-dioxide?
The InChIKey is DUHHKVBDFGQIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c13-15(14)8-2-1-3-10(15)9-12-6-4-11-5-7-12/h10-11H,1-9H2.
What are the key properties of 2-(piperazin-1-ylmethyl)thiane 1,1-dioxide?
2-(piperazin-1-ylmethyl)thiane 1,1-dioxide has a molecular weight of 232.35 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazin-1-ylmethyl)thiane 1,1-dioxide is sourced from PubChem (CID 104519129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).