3-methyl-1-prop-2-enylsulfonylpiperazine

C8H16N2O2S — CID 79672714

IUPAC3-methyl-1-prop-2-enylsulfonylpiperazine
SMILESC=CCS(=O)(=O)N1CCNC(C)C1
InChIInChI=1S/C8H16N2O2S/c1-3-6-13(11,12)10-5-4-9-8(2)7-10/h3,8-9H,1,4-7H2,2H3
InChIKeyHBAUHAMCJVCWNX-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.20
Rot. Bonds3

About 3-methyl-1-prop-2-enylsulfonylpiperazine

3-methyl-1-prop-2-enylsulfonylpiperazine (PubChem CID 79672714) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 3-methyl-1-prop-2-enylsulfonylpiperazine.

Molecular Properties

Compound Name3-methyl-1-prop-2-enylsulfonylpiperazine
PubChem CID79672714
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name3-methyl-1-prop-2-enylsulfonylpiperazine
SMILESC=CCS(=O)(=O)N1CCNC(C)C1
InChIInChI=1S/C8H16N2O2S/c1-3-6-13(11,12)10-5-4-9-8(2)7-10/h3,8-9H,1,4-7H2,2H3
InChIKeyHBAUHAMCJVCWNX-UHFFFAOYSA-N
XLogP-0.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-prop-2-enylsulfonylpiperazine?
The IUPAC name of 3-methyl-1-prop-2-enylsulfonylpiperazine (CID 79672714) is 3-methyl-1-prop-2-enylsulfonylpiperazine.
What is the SMILES notation for 3-methyl-1-prop-2-enylsulfonylpiperazine?
The canonical SMILES for 3-methyl-1-prop-2-enylsulfonylpiperazine is C=CCS(=O)(=O)N1CCNC(C)C1.
What is the InChIKey of 3-methyl-1-prop-2-enylsulfonylpiperazine?
The InChIKey is HBAUHAMCJVCWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-3-6-13(11,12)10-5-4-9-8(2)7-10/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 3-methyl-1-prop-2-enylsulfonylpiperazine?
3-methyl-1-prop-2-enylsulfonylpiperazine has a molecular weight of 204.29 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-prop-2-enylsulfonylpiperazine is sourced from PubChem (CID 79672714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).