[1-(3-fluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine

C12H17FN2O2S — CID 102783770

IUPAC[1-(3-fluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine
SMILESCC1CCN(S(=O)(=O)c2cccc(F)c2)C1CN
InChIInChI=1S/C12H17FN2O2S/c1-9-5-6-15(12(9)8-14)18(16,17)11-4-2-3-10(13)7-11/h2-4,7,9,12H,5-6,8,14H2,1H3
InChIKeyZPHDBMKZUSDDDA-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.18
Rot. Bonds3

About [1-(3-fluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine

[1-(3-fluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine (PubChem CID 102783770) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is [1-(3-fluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(3-fluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine
PubChem CID102783770
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name[1-(3-fluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine
SMILESCC1CCN(S(=O)(=O)c2cccc(F)c2)C1CN
InChIInChI=1S/C12H17FN2O2S/c1-9-5-6-15(12(9)8-14)18(16,17)11-4-2-3-10(13)7-11/h2-4,7,9,12H,5-6,8,14H2,1H3
InChIKeyZPHDBMKZUSDDDA-UHFFFAOYSA-N
XLogP1.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine
CID 102783740
3-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonylbenzenesulfonamide;hydrochloride
CID 119984868
1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine
CID 113284452
(2R,4S)-1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine
CID 124573846
(2S,3R)-2-benzyl-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 97470103
[3-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine
CID 119984944
[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanamine
CID 103308622
[3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine
CID 102783777
[1-(2,4-difluorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 119984795
[1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 119984882
[1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 107328297
1-(3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984029

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(3-fluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine (CID 102783770) is [1-(3-fluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(3-fluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(3-fluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine is CC1CCN(S(=O)(=O)c2cccc(F)c2)C1CN.
What is the InChIKey of [1-(3-fluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine?
The InChIKey is ZPHDBMKZUSDDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-9-5-6-15(12(9)8-14)18(16,17)11-4-2-3-10(13)7-11/h2-4,7,9,12H,5-6,8,14H2,1H3.
What are the key properties of [1-(3-fluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine?
[1-(3-fluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine has a molecular weight of 272.34 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 102783770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).