[1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine

C14H21FN2O4S — CID 120711687

IUPAC[1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine
SMILESCOCCOc1ccc(F)cc1S(=O)(=O)N1CCCC1CN
InChIInChI=1S/C14H21FN2O4S/c1-20-7-8-21-13-5-4-11(15)9-14(13)22(18,19)17-6-2-3-12(17)10-16/h4-5,9,12H,2-3,6-8,10,16H2,1H3
InChIKeyNTQBIDIPOXWJFY-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.96
Rot. Bonds7

About [1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine

[1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine (PubChem CID 120711687) has the molecular formula C14H21FN2O4S and a molecular weight of 332.40 g/mol. Its IUPAC name is [1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine
PubChem CID120711687
Molecular FormulaC14H21FN2O4S
Molecular Weight332.40 g/mol
Exact Mass332.12
IUPAC Name[1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine
SMILESCOCCOc1ccc(F)cc1S(=O)(=O)N1CCCC1CN
InChIInChI=1S/C14H21FN2O4S/c1-20-7-8-21-13-5-4-11(15)9-14(13)22(18,19)17-6-2-3-12(17)10-16/h4-5,9,12H,2-3,6-8,10,16H2,1H3
InChIKeyNTQBIDIPOXWJFY-UHFFFAOYSA-N
XLogP0.96
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115752536
[(2S)-1-(2-bromo-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124701057
1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-2-methylpiperazine
CID 120708128
1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779271
[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 120711647
[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969239
3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-amine
CID 63767384
N-(cyclopropylmethyl)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-amine
CID 120711444
[(2S)-1-(2,5-difluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124695565
1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-3-methylpiperazine;hydrochloride
CID 120710454
[(2R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124688201
[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 119988722

Frequently Asked Questions

What is the IUPAC name of [1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine (CID 120711687) is [1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine is COCCOc1ccc(F)cc1S(=O)(=O)N1CCCC1CN.
What is the InChIKey of [1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine?
The InChIKey is NTQBIDIPOXWJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O4S/c1-20-7-8-21-13-5-4-11(15)9-14(13)22(18,19)17-6-2-3-12(17)10-16/h4-5,9,12H,2-3,6-8,10,16H2,1H3.
What are the key properties of [1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine?
[1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine has a molecular weight of 332.40 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 120711687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).