1-[(3R)-1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]-N-methylmethanamine

C11H16FN3O2S — CID 95381894

IUPAC1-[(3R)-1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNC[C@H]1CCN(S(=O)(=O)c2cncc(F)c2)C1
InChIInChI=1S/C11H16FN3O2S/c1-13-5-9-2-3-15(8-9)18(16,17)11-4-10(12)6-14-7-11/h4,6-7,9,13H,2-3,5,8H2,1H3/t9-/m1/s1
InChIKeyRWXZCHQQOWCAJC-SECBINFHSA-N
MW273.33 g/mol
LogP0.45
Rot. Bonds4

About 1-[(3R)-1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]-N-methylmethanamine

1-[(3R)-1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 95381894) has the molecular formula C11H16FN3O2S and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-[(3R)-1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(3R)-1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]-N-methylmethanamine
PubChem CID95381894
Molecular FormulaC11H16FN3O2S
Molecular Weight273.33 g/mol
Exact Mass273.09
IUPAC Name1-[(3R)-1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNC[C@H]1CCN(S(=O)(=O)c2cncc(F)c2)C1
InChIInChI=1S/C11H16FN3O2S/c1-13-5-9-2-3-15(8-9)18(16,17)11-4-10(12)6-14-7-11/h4,6-7,9,13H,2-3,5,8H2,1H3/t9-/m1/s1
InChIKeyRWXZCHQQOWCAJC-SECBINFHSA-N
XLogP0.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119991049
methyl 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylate
CID 78918761
N-methyl-1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 55167900
1-[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63264275
N-methyl-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanamine
CID 120709622
1-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63264060
1-[(5-fluoro-3-pyridinyl)sulfonyl]azetidin-3-amine
CID 63764885
1-[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977516
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 55168097
1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-4-carbaldehyde
CID 63844852
1-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977686
1-[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961088

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[(3R)-1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]-N-methylmethanamine (CID 95381894) is 1-[(3R)-1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(3R)-1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(3R)-1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]-N-methylmethanamine is CNC[C@H]1CCN(S(=O)(=O)c2cncc(F)c2)C1.
What is the InChIKey of 1-[(3R)-1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is RWXZCHQQOWCAJC-SECBINFHSA-N. The full InChI is InChI=1S/C11H16FN3O2S/c1-13-5-9-2-3-15(8-9)18(16,17)11-4-10(12)6-14-7-11/h4,6-7,9,13H,2-3,5,8H2,1H3/t9-/m1/s1.
What are the key properties of 1-[(3R)-1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]-N-methylmethanamine?
1-[(3R)-1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 273.33 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 95381894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).