1-but-3-enylsulfonylpiperazine

C8H16N2O2S — CID 119961760

IUPAC1-but-3-enylsulfonylpiperazine
SMILESC=CCCS(=O)(=O)N1CCNCC1
InChIInChI=1S/C8H16N2O2S/c1-2-3-8-13(11,12)10-6-4-9-5-7-10/h2,9H,1,3-8H2
InChIKeySMRITAWCZRDQPQ-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.20
Rot. Bonds4

About 1-but-3-enylsulfonylpiperazine

1-but-3-enylsulfonylpiperazine (PubChem CID 119961760) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 1-but-3-enylsulfonylpiperazine.

Molecular Properties

Compound Name1-but-3-enylsulfonylpiperazine
PubChem CID119961760
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name1-but-3-enylsulfonylpiperazine
SMILESC=CCCS(=O)(=O)N1CCNCC1
InChIInChI=1S/C8H16N2O2S/c1-2-3-8-13(11,12)10-6-4-9-5-7-10/h2,9H,1,3-8H2
InChIKeySMRITAWCZRDQPQ-UHFFFAOYSA-N
XLogP-0.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-but-3-enylsulfonyl-2-methylpiperazine
CID 99602422
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)but-3-ene-1-sulfonamide;hydrochloride
CID 120778571
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)but-3-ene-1-sulfonamide
CID 120778572
1-(3-Ethylsulfonylprop-2-enyl)piperazine
CID 56613702
1-Prop-2-enylsulfonylpiperazine
CID 67310159
2-Methyl-1-prop-2-enylsulfonylpiperazine
CID 79673803
1-(2,3-Dihydrothiophen-2-ylsulfonyl)piperazine
CID 89243083
1-[(E)-3-methylsulfonylprop-2-enyl]piperazine
CID 118584298
1-But-3-enylsulfonyl-2-ethynylpiperazine
CID 123568237
1-[(E)-3-propan-2-ylsulfonylprop-2-enyl]piperazine
CID 129118278
2-(but-3-enylamino)-N,N-dimethylethanesulfonamide
CID 140863709
1-[(E)-1-methylsulfanylbut-1-enyl]sulfonylpiperazine
CID 144337738

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enylsulfonylpiperazine?
The IUPAC name of 1-but-3-enylsulfonylpiperazine (CID 119961760) is 1-but-3-enylsulfonylpiperazine.
What is the SMILES notation for 1-but-3-enylsulfonylpiperazine?
The canonical SMILES for 1-but-3-enylsulfonylpiperazine is C=CCCS(=O)(=O)N1CCNCC1.
What is the InChIKey of 1-but-3-enylsulfonylpiperazine?
The InChIKey is SMRITAWCZRDQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-2-3-8-13(11,12)10-6-4-9-5-7-10/h2,9H,1,3-8H2.
What are the key properties of 1-but-3-enylsulfonylpiperazine?
1-but-3-enylsulfonylpiperazine has a molecular weight of 204.29 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enylsulfonylpiperazine is sourced from PubChem (CID 119961760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).