1-[2-(nitrosomethyl)phenyl]sulfonylpyrrolidine

C11H14N2O3S — CID 123690881

IUPAC1-[2-(nitrosomethyl)phenyl]sulfonylpyrrolidine
SMILESO=NCc1ccccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C11H14N2O3S/c14-12-9-10-5-1-2-6-11(10)17(15,16)13-7-3-4-8-13/h1-2,5-6H,3-4,7-9H2
InChIKeyDQOCQIFYAJCHAJ-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.74
Rot. Bonds4

About 1-[2-(nitrosomethyl)phenyl]sulfonylpyrrolidine

1-[2-(nitrosomethyl)phenyl]sulfonylpyrrolidine (PubChem CID 123690881) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-[2-(nitrosomethyl)phenyl]sulfonylpyrrolidine.

Molecular Properties

Compound Name1-[2-(nitrosomethyl)phenyl]sulfonylpyrrolidine
PubChem CID123690881
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name1-[2-(nitrosomethyl)phenyl]sulfonylpyrrolidine
SMILESO=NCc1ccccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C11H14N2O3S/c14-12-9-10-5-1-2-6-11(10)17(15,16)13-7-3-4-8-13/h1-2,5-6H,3-4,7-9H2
InChIKeyDQOCQIFYAJCHAJ-UHFFFAOYSA-N
XLogP1.74
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(nitrosomethyl)phenyl]sulfonylpyrrolidine?
The IUPAC name of 1-[2-(nitrosomethyl)phenyl]sulfonylpyrrolidine (CID 123690881) is 1-[2-(nitrosomethyl)phenyl]sulfonylpyrrolidine.
What is the SMILES notation for 1-[2-(nitrosomethyl)phenyl]sulfonylpyrrolidine?
The canonical SMILES for 1-[2-(nitrosomethyl)phenyl]sulfonylpyrrolidine is O=NCc1ccccc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 1-[2-(nitrosomethyl)phenyl]sulfonylpyrrolidine?
The InChIKey is DQOCQIFYAJCHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c14-12-9-10-5-1-2-6-11(10)17(15,16)13-7-3-4-8-13/h1-2,5-6H,3-4,7-9H2.
What are the key properties of 1-[2-(nitrosomethyl)phenyl]sulfonylpyrrolidine?
1-[2-(nitrosomethyl)phenyl]sulfonylpyrrolidine has a molecular weight of 254.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(nitrosomethyl)phenyl]sulfonylpyrrolidine is sourced from PubChem (CID 123690881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).