2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide;dihydrochloride

C9H20Cl2N2O2S — CID 126812361

IUPAC2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide;dihydrochloride
SMILESCl.Cl.O=S1(=O)CCCC1CN1CCNCC1
InChIInChI=1S/C9H18N2O2S.2ClH/c12-14(13)7-1-2-9(14)8-11-5-3-10-4-6-11;;/h9-10H,1-8H2;2*1H
InChIKeyCPZWFYUOKPSNBV-UHFFFAOYSA-N
MW291.24 g/mol
LogP0.31
Rot. Bonds2

About 2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide;dihydrochloride

2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide;dihydrochloride (PubChem CID 126812361) has the molecular formula C9H20Cl2N2O2S and a molecular weight of 291.24 g/mol. Its IUPAC name is 2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide;dihydrochloride.

Molecular Properties

Compound Name2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide;dihydrochloride
PubChem CID126812361
Molecular FormulaC9H20Cl2N2O2S
Molecular Weight291.24 g/mol
Exact Mass290.06
IUPAC Name2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide;dihydrochloride
SMILESCl.Cl.O=S1(=O)CCCC1CN1CCNCC1
InChIInChI=1S/C9H18N2O2S.2ClH/c12-14(13)7-1-2-9(14)8-11-5-3-10-4-6-11;;/h9-10H,1-8H2;2*1H
InChIKeyCPZWFYUOKPSNBV-UHFFFAOYSA-N
XLogP0.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 50.31
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)thiolane 1,1-dioxide;dihydrochloride?
The IUPAC name of 2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide;dihydrochloride (CID 126812361) is 2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide;dihydrochloride.
What is the SMILES notation for 2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide;dihydrochloride?
The canonical SMILES for 2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide;dihydrochloride is Cl.Cl.O=S1(=O)CCCC1CN1CCNCC1.
What is the InChIKey of 2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide;dihydrochloride?
The InChIKey is CPZWFYUOKPSNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S.2ClH/c12-14(13)7-1-2-9(14)8-11-5-3-10-4-6-11;;/h9-10H,1-8H2;2*1H.
What are the key properties of 2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide;dihydrochloride?
2-(piperazin-1-ylmethyl)thiolane 1,1-dioxide;dihydrochloride has a molecular weight of 291.24 g/mol, XLogP of 0.31, 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)thiolane 1,1-dioxide;dihydrochloride is sourced from PubChem (CID 126812361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).