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

C11H16FN3O2S — CID 103308622

IUPAC[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanamine
SMILESCC1CCN(S(=O)(=O)c2ncccc2F)C1CN
InChIInChI=1S/C11H16FN3O2S/c1-8-4-6-15(10(8)7-13)18(16,17)11-9(12)3-2-5-14-11/h2-3,5,8,10H,4,6-7,13H2,1H3
InChIKeyMUZZDAVJGZLUGT-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.58
Rot. Bonds3

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

[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanamine (PubChem CID 103308622) has the molecular formula C11H16FN3O2S and a molecular weight of 273.33 g/mol. Its IUPAC name is [1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanamine
PubChem CID103308622
Molecular FormulaC11H16FN3O2S
Molecular Weight273.33 g/mol
Exact Mass273.09
IUPAC Name[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanamine
SMILESCC1CCN(S(=O)(=O)c2ncccc2F)C1CN
InChIInChI=1S/C11H16FN3O2S/c1-8-4-6-15(10(8)7-13)18(16,17)11-9(12)3-2-5-14-11/h2-3,5,8,10H,4,6-7,13H2,1H3
InChIKeyMUZZDAVJGZLUGT-UHFFFAOYSA-N
XLogP0.58
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine
CID 102783740
[1-(3-fluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine
CID 102783770
3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine
CID 103299830
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylethanamine
CID 103302532
1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylmethanamine
CID 103302482
1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-2-carbothioamide
CID 103300677
[3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine
CID 102783777
3-ethyl-1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-amine
CID 103298431
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine
CID 103302531
1-[(3-fluoro-2-pyridinyl)sulfonyl]pyrrolidine-2-carboximidamide
CID 103308737
[3-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine
CID 119984944
[1-[(2-hydrazinyl-3-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102781987

Frequently Asked Questions

What is the IUPAC name of [1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanamine (CID 103308622) is [1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanamine is CC1CCN(S(=O)(=O)c2ncccc2F)C1CN.
What is the InChIKey of [1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanamine?
The InChIKey is MUZZDAVJGZLUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2S/c1-8-4-6-15(10(8)7-13)18(16,17)11-9(12)3-2-5-14-11/h2-3,5,8,10H,4,6-7,13H2,1H3.
What are the key properties of [1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanamine?
[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanamine has a molecular weight of 273.33 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 103308622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).