1-[(E)-3-methylsulfonylprop-2-enyl]piperazine

C8H16N2O2S — CID 118584298

IUPAC1-[(E)-3-methylsulfonylprop-2-enyl]piperazine
SMILESCS(=O)(=O)/C=C/CN1CCNCC1
InChIInChI=1S/C8H16N2O2S/c1-13(11,12)8-2-5-10-6-3-9-4-7-10/h2,8-9H,3-7H2,1H3/b8-2+
InChIKeyFXCOFCYUAXVFHT-KRXBUXKQSA-N
MW204.29 g/mol
LogP-0.55
Rot. Bonds3

About 1-[(E)-3-methylsulfonylprop-2-enyl]piperazine

1-[(E)-3-methylsulfonylprop-2-enyl]piperazine (PubChem CID 118584298) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 1-[(E)-3-methylsulfonylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(E)-3-methylsulfonylprop-2-enyl]piperazine
PubChem CID118584298
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name1-[(E)-3-methylsulfonylprop-2-enyl]piperazine
SMILESCS(=O)(=O)/C=C/CN1CCNCC1
InChIInChI=1S/C8H16N2O2S/c1-13(11,12)8-2-5-10-6-3-9-4-7-10/h2,8-9H,3-7H2,1H3/b8-2+
InChIKeyFXCOFCYUAXVFHT-KRXBUXKQSA-N
XLogP-0.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Ethylsulfonylprop-2-enyl)piperazine
CID 56613702
1-(1-Iodoethyl)piperazine;thiophene 1,1-dioxide
CID 69867337
4-(1,1-Dioxo-1,4-thiazinan-4-yl)but-2-en-1-amine
CID 71236996
2-Methyl-1-prop-2-enylsulfonylpiperazine
CID 79673803
3,5-dimethyl-1-[(E)-3-methylsulfonylprop-2-enyl]piperazine
CID 118401496
3,5-Dimethyl-1-(3-propan-2-ylsulfonylprop-2-enyl)piperazine
CID 123516933
1-(3-Ethylsulfonylprop-2-enyl)-3,5-dimethylpiperazine
CID 123765812
3,5-dimethyl-1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine
CID 129118275
1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine
CID 129118278
3,5-dimethyl-1-[(E)-3-propan-2-ylsulfinylprop-2-enyl]piperazine
CID 138508367
(E)-N,N-diethyl-3-[2-(methylamino)ethylsulfonyl]prop-2-en-1-amine
CID 168260804
Ethane;1-prop-2-enylsulfonylpiperazine
CID 174511282

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-methylsulfonylprop-2-enyl]piperazine?
The IUPAC name of 1-[(E)-3-methylsulfonylprop-2-enyl]piperazine (CID 118584298) is 1-[(E)-3-methylsulfonylprop-2-enyl]piperazine.
What is the SMILES notation for 1-[(E)-3-methylsulfonylprop-2-enyl]piperazine?
The canonical SMILES for 1-[(E)-3-methylsulfonylprop-2-enyl]piperazine is CS(=O)(=O)/C=C/CN1CCNCC1.
What is the InChIKey of 1-[(E)-3-methylsulfonylprop-2-enyl]piperazine?
The InChIKey is FXCOFCYUAXVFHT-KRXBUXKQSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-13(11,12)8-2-5-10-6-3-9-4-7-10/h2,8-9H,3-7H2,1H3/b8-2+.
What are the key properties of 1-[(E)-3-methylsulfonylprop-2-enyl]piperazine?
1-[(E)-3-methylsulfonylprop-2-enyl]piperazine has a molecular weight of 204.29 g/mol, XLogP of -0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-methylsulfonylprop-2-enyl]piperazine is sourced from PubChem (CID 118584298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).