3-[(5-ethyl-2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide

C12H24N2O2S — CID 64947185

IUPAC3-[(5-ethyl-2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
SMILESCCC1CN(CC2CCS(=O)(=O)C2)C(C)CN1
InChIInChI=1S/C12H24N2O2S/c1-3-12-8-14(10(2)6-13-12)7-11-4-5-17(15,16)9-11/h10-13H,3-9H2,1-2H3
InChIKeyVXKZDMHFPNGLEU-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.49
Rot. Bonds3

About 3-[(5-ethyl-2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide

3-[(5-ethyl-2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide (PubChem CID 64947185) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 3-[(5-ethyl-2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[(5-ethyl-2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
PubChem CID64947185
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name3-[(5-ethyl-2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
SMILESCCC1CN(CC2CCS(=O)(=O)C2)C(C)CN1
InChIInChI=1S/C12H24N2O2S/c1-3-12-8-14(10(2)6-13-12)7-11-4-5-17(15,16)9-11/h10-13H,3-9H2,1-2H3
InChIKeyVXKZDMHFPNGLEU-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,5,5-triethylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
CID 64947359
3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-methylimidazolidin-4-one
CID 83251863
3-ethyl-5-methyl-1,4-thiazepane 1,1-dioxide
CID 66233541
1-(cyclopentylmethyl)-2,5-diethylpiperazine
CID 64843856
2-methyl-1-(oxolan-3-ylmethyl)-5-propylpiperazine
CID 64846758
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-ethyl-2-methylpiperazine
CID 104772091
3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-propylimidazolidin-4-one
CID 83253717
3-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
CID 64947362
3-[(3-tert-butyl-1,4-diazepan-1-yl)methyl]thiolane 1,1-dioxide
CID 64949167
2,5-diethyl-1-(oxan-4-ylmethyl)piperazine
CID 64842307
1-(2-ethoxy-2-methylpropyl)-5-ethyl-2-methylpiperazine
CID 114944386
1-(cyclopentylmethyl)-5-ethyl-2-propylpiperazine
CID 64842116

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
The IUPAC name of 3-[(5-ethyl-2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide (CID 64947185) is 3-[(5-ethyl-2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[(5-ethyl-2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[(5-ethyl-2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide is CCC1CN(CC2CCS(=O)(=O)C2)C(C)CN1.
What is the InChIKey of 3-[(5-ethyl-2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
The InChIKey is VXKZDMHFPNGLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-3-12-8-14(10(2)6-13-12)7-11-4-5-17(15,16)9-11/h10-13H,3-9H2,1-2H3.
What are the key properties of 3-[(5-ethyl-2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
3-[(5-ethyl-2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide has a molecular weight of 260.40 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-2-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide is sourced from PubChem (CID 64947185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).