(2R)-2-(3-methylsulfonylphenyl)pyrrolidine;hydrochloride

C11H16ClNO2S — CID 162344454

IUPAC(2R)-2-(3-methylsulfonylphenyl)pyrrolidine;hydrochloride
SMILESCS(=O)(=O)c1cccc([C@H]2CCCN2)c1.Cl
InChIInChI=1S/C11H15NO2S.ClH/c1-15(13,14)10-5-2-4-9(8-10)11-6-3-7-12-11;/h2,4-5,8,11-12H,3,6-7H2,1H3;1H/t11-;/m1./s1
InChIKeyWQGYEGYLZZJZAD-RFVHGSKJSA-N
MW261.77 g/mol
LogP1.94
Rot. Bonds2

About (2R)-2-(3-methylsulfonylphenyl)pyrrolidine;hydrochloride

(2R)-2-(3-methylsulfonylphenyl)pyrrolidine;hydrochloride (PubChem CID 162344454) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is (2R)-2-(3-methylsulfonylphenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(3-methylsulfonylphenyl)pyrrolidine;hydrochloride
PubChem CID162344454
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name(2R)-2-(3-methylsulfonylphenyl)pyrrolidine;hydrochloride
SMILESCS(=O)(=O)c1cccc([C@H]2CCCN2)c1.Cl
InChIInChI=1S/C11H15NO2S.ClH/c1-15(13,14)10-5-2-4-9(8-10)11-6-3-7-12-11;/h2,4-5,8,11-12H,3,6-7H2,1H3;1H/t11-;/m1./s1
InChIKeyWQGYEGYLZZJZAD-RFVHGSKJSA-N
XLogP1.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methylsulfonylphenyl)pyrrolidine;hydrochloride?
The IUPAC name of (2R)-2-(3-methylsulfonylphenyl)pyrrolidine;hydrochloride (CID 162344454) is (2R)-2-(3-methylsulfonylphenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for (2R)-2-(3-methylsulfonylphenyl)pyrrolidine;hydrochloride?
The canonical SMILES for (2R)-2-(3-methylsulfonylphenyl)pyrrolidine;hydrochloride is CS(=O)(=O)c1cccc([C@H]2CCCN2)c1.Cl.
What is the InChIKey of (2R)-2-(3-methylsulfonylphenyl)pyrrolidine;hydrochloride?
The InChIKey is WQGYEGYLZZJZAD-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H15NO2S.ClH/c1-15(13,14)10-5-2-4-9(8-10)11-6-3-7-12-11;/h2,4-5,8,11-12H,3,6-7H2,1H3;1H/t11-;/m1./s1.
What are the key properties of (2R)-2-(3-methylsulfonylphenyl)pyrrolidine;hydrochloride?
(2R)-2-(3-methylsulfonylphenyl)pyrrolidine;hydrochloride has a molecular weight of 261.77 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methylsulfonylphenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 162344454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).