3-cyanopyrrolidine-1-sulfonyl chloride

C5H7ClN2O2S — CID 90355873

IUPAC3-cyanopyrrolidine-1-sulfonyl chloride
SMILESN#CC1CCN(S(=O)(=O)Cl)C1
InChIInChI=1S/C5H7ClN2O2S/c6-11(9,10)8-2-1-5(3-7)4-8/h5H,1-2,4H2
InChIKeyFFAAXAGACNIQJH-UHFFFAOYSA-N
MW194.64 g/mol
LogP0.32
Rot. Bonds1

About 3-cyanopyrrolidine-1-sulfonyl chloride

3-cyanopyrrolidine-1-sulfonyl chloride (PubChem CID 90355873) has the molecular formula C5H7ClN2O2S and a molecular weight of 194.64 g/mol. Its IUPAC name is 3-cyanopyrrolidine-1-sulfonyl chloride.

Molecular Properties

Compound Name3-cyanopyrrolidine-1-sulfonyl chloride
PubChem CID90355873
Molecular FormulaC5H7ClN2O2S
Molecular Weight194.64 g/mol
Exact Mass193.99
IUPAC Name3-cyanopyrrolidine-1-sulfonyl chloride
SMILESN#CC1CCN(S(=O)(=O)Cl)C1
InChIInChI=1S/C5H7ClN2O2S/c6-11(9,10)8-2-1-5(3-7)4-8/h5H,1-2,4H2
InChIKeyFFAAXAGACNIQJH-UHFFFAOYSA-N
XLogP0.32
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.64
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyanopyrrolidine-1-sulfonyl chloride?
The IUPAC name of 3-cyanopyrrolidine-1-sulfonyl chloride (CID 90355873) is 3-cyanopyrrolidine-1-sulfonyl chloride.
What is the SMILES notation for 3-cyanopyrrolidine-1-sulfonyl chloride?
The canonical SMILES for 3-cyanopyrrolidine-1-sulfonyl chloride is N#CC1CCN(S(=O)(=O)Cl)C1.
What is the InChIKey of 3-cyanopyrrolidine-1-sulfonyl chloride?
The InChIKey is FFAAXAGACNIQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2O2S/c6-11(9,10)8-2-1-5(3-7)4-8/h5H,1-2,4H2.
What are the key properties of 3-cyanopyrrolidine-1-sulfonyl chloride?
3-cyanopyrrolidine-1-sulfonyl chloride has a molecular weight of 194.64 g/mol, XLogP of 0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyanopyrrolidine-1-sulfonyl chloride is sourced from PubChem (CID 90355873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).