piperazin-2-one;sulfuryl dichloride

C4H8Cl2N2O3S — CID 126685748

IUPACpiperazin-2-one;sulfuryl dichloride
SMILESO=C1CNCCN1.O=S(=O)(Cl)Cl
InChIInChI=1S/C4H8N2O.Cl2O2S/c7-4-3-5-1-2-6-4;1-5(2,3)4/h5H,1-3H2,(H,6,7);
InChIKeyFLQQEQQHXAOKMN-UHFFFAOYSA-N
MW235.09 g/mol
LogP-0.59
Rot. Bonds

About piperazin-2-one;sulfuryl dichloride

piperazin-2-one;sulfuryl dichloride (PubChem CID 126685748) has the molecular formula C4H8Cl2N2O3S and a molecular weight of 235.09 g/mol. Its IUPAC name is piperazin-2-one;sulfuryl dichloride.

Molecular Properties

Compound Namepiperazin-2-one;sulfuryl dichloride
PubChem CID126685748
Molecular FormulaC4H8Cl2N2O3S
Molecular Weight235.09 g/mol
Exact Mass233.96
IUPAC Namepiperazin-2-one;sulfuryl dichloride
SMILESO=C1CNCCN1.O=S(=O)(Cl)Cl
InChIInChI=1S/C4H8N2O.Cl2O2S/c7-4-3-5-1-2-6-4;1-5(2,3)4/h5H,1-3H2,(H,6,7);
InChIKeyFLQQEQQHXAOKMN-UHFFFAOYSA-N
XLogP-0.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.09
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1,4,8,11-tetrazacyclotetradecane-2,10-dione
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1,4-diazacyclotetradecan-2-one
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1,4,7,10-tetrazacyclotridecan-11-one
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1,4-diazepan-6-one
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CID 159258504
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Frequently Asked Questions

What is the IUPAC name of piperazin-2-one;sulfuryl dichloride?
The IUPAC name of piperazin-2-one;sulfuryl dichloride (CID 126685748) is piperazin-2-one;sulfuryl dichloride.
What is the SMILES notation for piperazin-2-one;sulfuryl dichloride?
The canonical SMILES for piperazin-2-one;sulfuryl dichloride is O=C1CNCCN1.O=S(=O)(Cl)Cl.
What is the InChIKey of piperazin-2-one;sulfuryl dichloride?
The InChIKey is FLQQEQQHXAOKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O.Cl2O2S/c7-4-3-5-1-2-6-4;1-5(2,3)4/h5H,1-3H2,(H,6,7);.
What are the key properties of piperazin-2-one;sulfuryl dichloride?
piperazin-2-one;sulfuryl dichloride has a molecular weight of 235.09 g/mol, XLogP of -0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-2-one;sulfuryl dichloride is sourced from PubChem (CID 126685748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).