pyrrolidine;thiolane 1,1-dioxide

C8H17NO2S — CID 158788978

IUPACpyrrolidine;thiolane 1,1-dioxide
SMILESC1CCNC1.O=S1(=O)CCCC1
InChIInChI=1S/C4H9N.C4H8O2S/c1-2-4-5-3-1;5-7(6)3-1-2-4-7/h5H,1-4H2;1-4H2
InChIKeyISAONMIXESLLRB-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.56
Rot. Bonds

About pyrrolidine;thiolane 1,1-dioxide

pyrrolidine;thiolane 1,1-dioxide (PubChem CID 158788978) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is pyrrolidine;thiolane 1,1-dioxide.

Molecular Properties

Compound Namepyrrolidine;thiolane 1,1-dioxide
PubChem CID158788978
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Namepyrrolidine;thiolane 1,1-dioxide
SMILESC1CCNC1.O=S1(=O)CCCC1
InChIInChI=1S/C4H9N.C4H8O2S/c1-2-4-5-3-1;5-7(6)3-1-2-4-7/h5H,1-4H2;1-4H2
InChIKeyISAONMIXESLLRB-UHFFFAOYSA-N
XLogP0.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolidine;thiolane 1,1-dioxide?
The IUPAC name of pyrrolidine;thiolane 1,1-dioxide (CID 158788978) is pyrrolidine;thiolane 1,1-dioxide.
What is the SMILES notation for pyrrolidine;thiolane 1,1-dioxide?
The canonical SMILES for pyrrolidine;thiolane 1,1-dioxide is C1CCNC1.O=S1(=O)CCCC1.
What is the InChIKey of pyrrolidine;thiolane 1,1-dioxide?
The InChIKey is ISAONMIXESLLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.C4H8O2S/c1-2-4-5-3-1;5-7(6)3-1-2-4-7/h5H,1-4H2;1-4H2.
What are the key properties of pyrrolidine;thiolane 1,1-dioxide?
pyrrolidine;thiolane 1,1-dioxide has a molecular weight of 191.30 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine;thiolane 1,1-dioxide is sourced from PubChem (CID 158788978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).