(2R,5S)-1-ethenylsulfonyl-2,5-dimethylpiperazine

C8H16N2O2S — CID 170548743

IUPAC(2R,5S)-1-ethenylsulfonyl-2,5-dimethylpiperazine
SMILESC=CS(=O)(=O)N1C[C@H](C)NC[C@H]1C
InChIInChI=1S/C8H16N2O2S/c1-4-13(11,12)10-6-7(2)9-5-8(10)3/h4,7-9H,1,5-6H2,2-3H3/t7-,8+/m0/s1
InChIKeyCFDYTRMVIMQNQY-JGVFFNPUSA-N
MW204.29 g/mol
LogP0.14
Rot. Bonds2

About (2R,5S)-1-ethenylsulfonyl-2,5-dimethylpiperazine

(2R,5S)-1-ethenylsulfonyl-2,5-dimethylpiperazine (PubChem CID 170548743) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is (2R,5S)-1-ethenylsulfonyl-2,5-dimethylpiperazine.

Molecular Properties

Compound Name(2R,5S)-1-ethenylsulfonyl-2,5-dimethylpiperazine
PubChem CID170548743
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name(2R,5S)-1-ethenylsulfonyl-2,5-dimethylpiperazine
SMILESC=CS(=O)(=O)N1C[C@H](C)NC[C@H]1C
InChIInChI=1S/C8H16N2O2S/c1-4-13(11,12)10-6-7(2)9-5-8(10)3/h4,7-9H,1,5-6H2,2-3H3/t7-,8+/m0/s1
InChIKeyCFDYTRMVIMQNQY-JGVFFNPUSA-N
XLogP0.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-1-ethenylsulfonyl-2,5-dimethylpiperazine?
The IUPAC name of (2R,5S)-1-ethenylsulfonyl-2,5-dimethylpiperazine (CID 170548743) is (2R,5S)-1-ethenylsulfonyl-2,5-dimethylpiperazine.
What is the SMILES notation for (2R,5S)-1-ethenylsulfonyl-2,5-dimethylpiperazine?
The canonical SMILES for (2R,5S)-1-ethenylsulfonyl-2,5-dimethylpiperazine is C=CS(=O)(=O)N1C[C@H](C)NC[C@H]1C.
What is the InChIKey of (2R,5S)-1-ethenylsulfonyl-2,5-dimethylpiperazine?
The InChIKey is CFDYTRMVIMQNQY-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-4-13(11,12)10-6-7(2)9-5-8(10)3/h4,7-9H,1,5-6H2,2-3H3/t7-,8+/m0/s1.
What are the key properties of (2R,5S)-1-ethenylsulfonyl-2,5-dimethylpiperazine?
(2R,5S)-1-ethenylsulfonyl-2,5-dimethylpiperazine has a molecular weight of 204.29 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-1-ethenylsulfonyl-2,5-dimethylpiperazine is sourced from PubChem (CID 170548743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).