1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine

C10H13FN2O2S — CID 62067673

IUPAC1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
SMILESNC1CCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C10H13FN2O2S/c11-8-1-3-10(4-2-8)16(14,15)13-6-5-9(12)7-13/h1-4,9H,5-7,12H2
InChIKeyTZFZDEMJWTZOLX-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.55
Rot. Bonds2

About 1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine

1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine (PubChem CID 62067673) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
PubChem CID62067673
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC Name1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
SMILESNC1CCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C10H13FN2O2S/c11-8-1-3-10(4-2-8)16(14,15)13-6-5-9(12)7-13/h1-4,9H,5-7,12H2
InChIKeyTZFZDEMJWTZOLX-UHFFFAOYSA-N
XLogP0.55
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962425
3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 80666772
1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine
CID 61224457
(3R)-1-(3-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-amine
CID 119962853
(3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine
CID 94340425
2-(4-fluorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 43404978
(3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993597
4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide;hydrochloride
CID 120999160
(3R)-1-(3,4,5-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962846
1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971532
(3R)-1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-amine
CID 115301727
O-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]hydroxylamine
CID 39390371

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine?
The IUPAC name of 1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine (CID 62067673) is 1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine is NC1CCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine?
The InChIKey is TZFZDEMJWTZOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c11-8-1-3-10(4-2-8)16(14,15)13-6-5-9(12)7-13/h1-4,9H,5-7,12H2.
What are the key properties of 1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine?
1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine has a molecular weight of 244.29 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 62067673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).