[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]methanamine

C12H17FN2O2S — CID 119971950

IUPAC[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)Cc2cccc(F)c2)C1
InChIInChI=1S/C12H17FN2O2S/c13-12-3-1-2-10(6-12)9-18(16,17)15-5-4-11(7-14)8-15/h1-3,6,11H,4-5,7-9,14H2
InChIKeyQBKZVKRZQXBMDJ-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.94
Rot. Bonds4

About [1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]methanamine

[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]methanamine (PubChem CID 119971950) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is [1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]methanamine
PubChem CID119971950
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)Cc2cccc(F)c2)C1
InChIInChI=1S/C12H17FN2O2S/c13-12-3-1-2-10(6-12)9-18(16,17)15-5-4-11(7-14)8-15/h1-3,6,11H,4-5,7-9,14H2
InChIKeyQBKZVKRZQXBMDJ-UHFFFAOYSA-N
XLogP0.94
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)piperidine
CID 121092351
2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]triazole
CID 121178833
3-(benzenesulfonyl)-1-[(3-fluorophenyl)methylsulfonyl]pyrrolidine
CID 71805609
(1-benzylsulfonylpiperidin-4-yl)methanamine
CID 43605269
1-[(3-fluorophenyl)methylsulfonyl]-3-methylpiperazine
CID 119981962
4-cyclopropylidene-1-[(3-fluorophenyl)methylsulfonyl]piperidine
CID 121187196
[(3R,4R)-1-[(3-fluorophenyl)methylsulfonyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120766211
[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030656
1-(cyclopropylmethylsulfonylmethyl)-3-fluorobenzene
CID 167784424
[1-[(3-fluorophenyl)methylsulfonyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120777272
[4-[(3-fluorophenyl)methyl]cyclohexyl]methanamine
CID 90782527
3-[(3-aminopyrrolidin-1-yl)sulfonylmethyl]benzoic acid
CID 62067855

Frequently Asked Questions

What is the IUPAC name of [1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]methanamine (CID 119971950) is [1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]methanamine is NCC1CCN(S(=O)(=O)Cc2cccc(F)c2)C1.
What is the InChIKey of [1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]methanamine?
The InChIKey is QBKZVKRZQXBMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c13-12-3-1-2-10(6-12)9-18(16,17)15-5-4-11(7-14)8-15/h1-3,6,11H,4-5,7-9,14H2.
What are the key properties of [1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]methanamine?
[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]methanamine has a molecular weight of 272.34 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 119971950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).