1-(3-propylphenyl)sulfonylpyrrolidine

C13H19NO2S — CID 142264878

IUPAC1-(3-propylphenyl)sulfonylpyrrolidine
SMILESCCCc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C13H19NO2S/c1-2-6-12-7-5-8-13(11-12)17(15,16)14-9-3-4-10-14/h5,7-8,11H,2-4,6,9-10H2,1H3
InChIKeyRHTXBDNBHALAEJ-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.42
Rot. Bonds4

About 1-(3-propylphenyl)sulfonylpyrrolidine

1-(3-propylphenyl)sulfonylpyrrolidine (PubChem CID 142264878) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-(3-propylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(3-propylphenyl)sulfonylpyrrolidine
PubChem CID142264878
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name1-(3-propylphenyl)sulfonylpyrrolidine
SMILESCCCc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C13H19NO2S/c1-2-6-12-7-5-8-13(11-12)17(15,16)14-9-3-4-10-14/h5,7-8,11H,2-4,6,9-10H2,1H3
InChIKeyRHTXBDNBHALAEJ-UHFFFAOYSA-N
XLogP2.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-pyrrolidin-1-ylsulfonylphenyl)butan-2-one
CID 66668829
1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine
CID 71691379
1-(3-ethoxyphenyl)sulfonylpyrrolidine
CID 141152893
1-(3-methylsulfonylphenyl)sulfonylazepane
CID 6457455
3-propylbenzenesulfonyl fluoride
CID 153373581
1-[3-(phenoxymethyl)phenyl]sulfonylazepane
CID 71691343
1-(3-pyrrolidin-1-ylsulfonylphenyl)propan-1-amine
CID 60871674
propyl 3-propylbenzenesulfonate
CID 139720072
(3R)-1-(3-ethylphenyl)sulfonylpiperidin-3-ol
CID 166824771
1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-amine
CID 60873787
1-butyl-2-methyl-3-[(3-piperidin-1-ylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 111151667
3-(azepan-1-ylsulfonyl)aniline
CID 5004919

Frequently Asked Questions

What is the IUPAC name of 1-(3-propylphenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(3-propylphenyl)sulfonylpyrrolidine (CID 142264878) is 1-(3-propylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(3-propylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(3-propylphenyl)sulfonylpyrrolidine is CCCc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 1-(3-propylphenyl)sulfonylpyrrolidine?
The InChIKey is RHTXBDNBHALAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-6-12-7-5-8-13(11-12)17(15,16)14-9-3-4-10-14/h5,7-8,11H,2-4,6,9-10H2,1H3.
What are the key properties of 1-(3-propylphenyl)sulfonylpyrrolidine?
1-(3-propylphenyl)sulfonylpyrrolidine has a molecular weight of 253.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 142264878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).