1-(3-propan-2-ylsulfonylphenyl)pyrrolidine

C13H19NO2S — CID 168514777

IUPAC1-(3-propan-2-ylsulfonylphenyl)pyrrolidine
SMILESCC(C)S(=O)(=O)c1cccc(N2CCCC2)c1
InChIInChI=1S/C13H19NO2S/c1-11(2)17(15,16)13-7-5-6-12(10-13)14-8-3-4-9-14/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyLHFZVZIEZXLXKB-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.47
Rot. Bonds3

About 1-(3-propan-2-ylsulfonylphenyl)pyrrolidine

1-(3-propan-2-ylsulfonylphenyl)pyrrolidine (PubChem CID 168514777) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-(3-propan-2-ylsulfonylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-propan-2-ylsulfonylphenyl)pyrrolidine
PubChem CID168514777
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name1-(3-propan-2-ylsulfonylphenyl)pyrrolidine
SMILESCC(C)S(=O)(=O)c1cccc(N2CCCC2)c1
InChIInChI=1S/C13H19NO2S/c1-11(2)17(15,16)13-7-5-6-12(10-13)14-8-3-4-9-14/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyLHFZVZIEZXLXKB-UHFFFAOYSA-N
XLogP2.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylsulfonylphenyl)pyrrolidine?
The IUPAC name of 1-(3-propan-2-ylsulfonylphenyl)pyrrolidine (CID 168514777) is 1-(3-propan-2-ylsulfonylphenyl)pyrrolidine.
What is the SMILES notation for 1-(3-propan-2-ylsulfonylphenyl)pyrrolidine?
The canonical SMILES for 1-(3-propan-2-ylsulfonylphenyl)pyrrolidine is CC(C)S(=O)(=O)c1cccc(N2CCCC2)c1.
What is the InChIKey of 1-(3-propan-2-ylsulfonylphenyl)pyrrolidine?
The InChIKey is LHFZVZIEZXLXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-11(2)17(15,16)13-7-5-6-12(10-13)14-8-3-4-9-14/h5-7,10-11H,3-4,8-9H2,1-2H3.
What are the key properties of 1-(3-propan-2-ylsulfonylphenyl)pyrrolidine?
1-(3-propan-2-ylsulfonylphenyl)pyrrolidine has a molecular weight of 253.37 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylsulfonylphenyl)pyrrolidine is sourced from PubChem (CID 168514777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).