pyrrolidine;sulfuryl dichloride

C4H9Cl2NO2S — CID 21430333

IUPACpyrrolidine;sulfuryl dichloride
SMILESC1CCNC1.O=S(=O)(Cl)Cl
InChIInChI=1S/C4H9N.Cl2O2S/c1-2-4-5-3-1;1-5(2,3)4/h5H,1-4H2;
InChIKeyBPOIVQXRAABSPO-UHFFFAOYSA-N
MW206.09 g/mol
LogP1.08
Rot. Bonds

About pyrrolidine;sulfuryl dichloride

pyrrolidine;sulfuryl dichloride (PubChem CID 21430333) has the molecular formula C4H9Cl2NO2S and a molecular weight of 206.09 g/mol. Its IUPAC name is pyrrolidine;sulfuryl dichloride.

Molecular Properties

Compound Namepyrrolidine;sulfuryl dichloride
PubChem CID21430333
Molecular FormulaC4H9Cl2NO2S
Molecular Weight206.09 g/mol
Exact Mass204.97
IUPAC Namepyrrolidine;sulfuryl dichloride
SMILESC1CCNC1.O=S(=O)(Cl)Cl
InChIInChI=1S/C4H9N.Cl2O2S/c1-2-4-5-3-1;1-5(2,3)4/h5H,1-4H2;
InChIKeyBPOIVQXRAABSPO-UHFFFAOYSA-N
XLogP1.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.09
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolidine;sulfuryl dichloride?
The IUPAC name of pyrrolidine;sulfuryl dichloride (CID 21430333) is pyrrolidine;sulfuryl dichloride.
What is the SMILES notation for pyrrolidine;sulfuryl dichloride?
The canonical SMILES for pyrrolidine;sulfuryl dichloride is C1CCNC1.O=S(=O)(Cl)Cl.
What is the InChIKey of pyrrolidine;sulfuryl dichloride?
The InChIKey is BPOIVQXRAABSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.Cl2O2S/c1-2-4-5-3-1;1-5(2,3)4/h5H,1-4H2;.
What are the key properties of pyrrolidine;sulfuryl dichloride?
pyrrolidine;sulfuryl dichloride has a molecular weight of 206.09 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine;sulfuryl dichloride is sourced from PubChem (CID 21430333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).