3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-amine

C14H21FN2O2S — CID 63767384

IUPAC3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-amine
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCCC1CCCN
InChIInChI=1S/C14H21FN2O2S/c1-11-6-7-12(15)10-14(11)20(18,19)17-9-3-5-13(17)4-2-8-16/h6-7,10,13H,2-5,8-9,16H2,1H3
InChIKeyLJXPFMGEJQRVKO-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.03
Rot. Bonds5

About 3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-amine

3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-amine (PubChem CID 63767384) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-amine
PubChem CID63767384
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-amine
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCCC1CCCN
InChIInChI=1S/C14H21FN2O2S/c1-11-6-7-12(15)10-14(11)20(18,19)17-9-3-5-13(17)4-2-8-16/h6-7,10,13H,2-5,8-9,16H2,1H3
InChIKeyLJXPFMGEJQRVKO-UHFFFAOYSA-N
XLogP2.03
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(chloromethyl)-1-(5-fluoro-2-methylphenyl)sulfonylazepane
CID 116639765
[(2S)-1-(2-bromo-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124701057
[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115752536
2-(3-bromopropyl)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine
CID 105400680
[(2S)-1-(2,5-difluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124695565
[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969239
1-(5-fluoro-2-methylphenyl)sulfonyl-3-methylpiperidine-2-carboxylic acid
CID 107070018
3-[1-(5-bromo-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62469187
2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine
CID 63397513
2-(2-bromoethyl)-1-(2,5-difluorophenyl)sulfonylpiperidine
CID 80671795
[1-(5-fluoro-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120718980
4-fluoro-2-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83052783

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-amine?
The IUPAC name of 3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-amine (CID 63767384) is 3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-amine?
The canonical SMILES for 3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-amine is Cc1ccc(F)cc1S(=O)(=O)N1CCCC1CCCN.
What is the InChIKey of 3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-amine?
The InChIKey is LJXPFMGEJQRVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-11-6-7-12(15)10-14(11)20(18,19)17-9-3-5-13(17)4-2-8-16/h6-7,10,13H,2-5,8-9,16H2,1H3.
What are the key properties of 3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-amine?
3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-amine has a molecular weight of 300.40 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-amine is sourced from PubChem (CID 63767384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).