1-(2-chloroprop-2-enylsulfonyl)-4-prop-2-ynylpiperazine

C10H15ClN2O2S — CID 154754227

IUPAC1-(2-chloroprop-2-enylsulfonyl)-4-prop-2-ynylpiperazine
SMILESC#CCN1CCN(S(=O)(=O)CC(=C)Cl)CC1
InChIInChI=1S/C10H15ClN2O2S/c1-3-4-12-5-7-13(8-6-12)16(14,15)9-10(2)11/h1H,2,4-9H2
InChIKeyWLHABXTWAFRUNQ-UHFFFAOYSA-N
MW262.76 g/mol
LogP0.32
Rot. Bonds4

About 1-(2-chloroprop-2-enylsulfonyl)-4-prop-2-ynylpiperazine

1-(2-chloroprop-2-enylsulfonyl)-4-prop-2-ynylpiperazine (PubChem CID 154754227) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enylsulfonyl)-4-prop-2-ynylpiperazine.

Molecular Properties

Compound Name1-(2-chloroprop-2-enylsulfonyl)-4-prop-2-ynylpiperazine
PubChem CID154754227
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Name1-(2-chloroprop-2-enylsulfonyl)-4-prop-2-ynylpiperazine
SMILESC#CCN1CCN(S(=O)(=O)CC(=C)Cl)CC1
InChIInChI=1S/C10H15ClN2O2S/c1-3-4-12-5-7-13(8-6-12)16(14,15)9-10(2)11/h1H,2,4-9H2
InChIKeyWLHABXTWAFRUNQ-UHFFFAOYSA-N
XLogP0.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enylsulfonyl)-4-prop-2-ynylpiperazine?
The IUPAC name of 1-(2-chloroprop-2-enylsulfonyl)-4-prop-2-ynylpiperazine (CID 154754227) is 1-(2-chloroprop-2-enylsulfonyl)-4-prop-2-ynylpiperazine.
What is the SMILES notation for 1-(2-chloroprop-2-enylsulfonyl)-4-prop-2-ynylpiperazine?
The canonical SMILES for 1-(2-chloroprop-2-enylsulfonyl)-4-prop-2-ynylpiperazine is C#CCN1CCN(S(=O)(=O)CC(=C)Cl)CC1.
What is the InChIKey of 1-(2-chloroprop-2-enylsulfonyl)-4-prop-2-ynylpiperazine?
The InChIKey is WLHABXTWAFRUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-3-4-12-5-7-13(8-6-12)16(14,15)9-10(2)11/h1H,2,4-9H2.
What are the key properties of 1-(2-chloroprop-2-enylsulfonyl)-4-prop-2-ynylpiperazine?
1-(2-chloroprop-2-enylsulfonyl)-4-prop-2-ynylpiperazine has a molecular weight of 262.76 g/mol, XLogP of 0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enylsulfonyl)-4-prop-2-ynylpiperazine is sourced from PubChem (CID 154754227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).