1-ethenylsulfonyl-2,3,4-trimethylpiperazine

C9H18N2O2S — CID 169135714

IUPAC1-ethenylsulfonyl-2,3,4-trimethylpiperazine
SMILESC=CS(=O)(=O)N1CCN(C)C(C)C1C
InChIInChI=1S/C9H18N2O2S/c1-5-14(12,13)11-7-6-10(4)8(2)9(11)3/h5,8-9H,1,6-7H2,2-4H3
InChIKeyDXPNXFKLRBICBC-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.48
Rot. Bonds2

About 1-ethenylsulfonyl-2,3,4-trimethylpiperazine

1-ethenylsulfonyl-2,3,4-trimethylpiperazine (PubChem CID 169135714) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-ethenylsulfonyl-2,3,4-trimethylpiperazine.

Molecular Properties

Compound Name1-ethenylsulfonyl-2,3,4-trimethylpiperazine
PubChem CID169135714
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name1-ethenylsulfonyl-2,3,4-trimethylpiperazine
SMILESC=CS(=O)(=O)N1CCN(C)C(C)C1C
InChIInChI=1S/C9H18N2O2S/c1-5-14(12,13)11-7-6-10(4)8(2)9(11)3/h5,8-9H,1,6-7H2,2-4H3
InChIKeyDXPNXFKLRBICBC-UHFFFAOYSA-N
XLogP0.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,4-tetramethylpiperazine
CID 66583347
2,3,4-trimethylpiperazine-1-carbaldehyde
CID 166140689
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CID 130543907
(2R,3S)-1-(3-chloro-4-methylphenyl)sulfonyl-2,3,4-trimethylpiperazine
CID 98855875
(2R,3R)-1,2,3-trimethyl-4-propan-2-ylpiperazine
CID 139548079
(2S,3R)-1-tert-butyl-2,3,4-trimethylpiperazine
CID 168821031
1-ethenyl-2,3-dimethylimidazolidine;4-methylbenzenesulfonic acid
CID 173341680
2-(2,3,4-trimethylpiperazin-1-yl)ethanol
CID 127732557
1-[(3S)-3,4-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 155332143
1-[(E)-3-chloroprop-2-enyl]-2,3,4-trimethylpiperazine
CID 131232946
2-methyl-1-prop-2-enylsulfonylpiperidin-3-ol
CID 130979047
(2S)-1,2,3-trimethylpyrrolidine
CID 142283455

Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfonyl-2,3,4-trimethylpiperazine?
The IUPAC name of 1-ethenylsulfonyl-2,3,4-trimethylpiperazine (CID 169135714) is 1-ethenylsulfonyl-2,3,4-trimethylpiperazine.
What is the SMILES notation for 1-ethenylsulfonyl-2,3,4-trimethylpiperazine?
The canonical SMILES for 1-ethenylsulfonyl-2,3,4-trimethylpiperazine is C=CS(=O)(=O)N1CCN(C)C(C)C1C.
What is the InChIKey of 1-ethenylsulfonyl-2,3,4-trimethylpiperazine?
The InChIKey is DXPNXFKLRBICBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-5-14(12,13)11-7-6-10(4)8(2)9(11)3/h5,8-9H,1,6-7H2,2-4H3.
What are the key properties of 1-ethenylsulfonyl-2,3,4-trimethylpiperazine?
1-ethenylsulfonyl-2,3,4-trimethylpiperazine has a molecular weight of 218.32 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfonyl-2,3,4-trimethylpiperazine is sourced from PubChem (CID 169135714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).