2-[(2-ethyl-5-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide

C12H24N2O2S — CID 81040147

IUPAC2-[(2-ethyl-5-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
SMILESCCC1CNC(C)CN1CC1CCCS1(=O)=O
InChIInChI=1S/C12H24N2O2S/c1-3-11-7-13-10(2)8-14(11)9-12-5-4-6-17(12,15)16/h10-13H,3-9H2,1-2H3
InChIKeyJVFMTYPPXOFBRI-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.64
Rot. Bonds3

About 2-[(2-ethyl-5-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide

2-[(2-ethyl-5-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide (PubChem CID 81040147) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 2-[(2-ethyl-5-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-[(2-ethyl-5-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
PubChem CID81040147
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name2-[(2-ethyl-5-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
SMILESCCC1CNC(C)CN1CC1CCCS1(=O)=O
InChIInChI=1S/C12H24N2O2S/c1-3-11-7-13-10(2)8-14(11)9-12-5-4-6-17(12,15)16/h10-13H,3-9H2,1-2H3
InChIKeyJVFMTYPPXOFBRI-UHFFFAOYSA-N
XLogP0.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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 2-[(2-ethyl-5-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
The IUPAC name of 2-[(2-ethyl-5-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide (CID 81040147) is 2-[(2-ethyl-5-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide.
What is the SMILES notation for 2-[(2-ethyl-5-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
The canonical SMILES for 2-[(2-ethyl-5-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide is CCC1CNC(C)CN1CC1CCCS1(=O)=O.
What is the InChIKey of 2-[(2-ethyl-5-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
The InChIKey is JVFMTYPPXOFBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-3-11-7-13-10(2)8-14(11)9-12-5-4-6-17(12,15)16/h10-13H,3-9H2,1-2H3.
What are the key properties of 2-[(2-ethyl-5-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
2-[(2-ethyl-5-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide has a molecular weight of 260.40 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-5-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide is sourced from PubChem (CID 81040147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).