3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine

C10H13FN2O2S — CID 103299830

IUPAC3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine
SMILESCC1CCN(S(=O)(=O)c2ncccc2F)C1
InChIInChI=1S/C10H13FN2O2S/c1-8-4-6-13(7-8)16(14,15)10-9(11)3-2-5-12-10/h2-3,5,8H,4,6-7H2,1H3
InChIKeyGCWQIVUSWUIGRE-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.25
Rot. Bonds2

About 3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine

3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine (PubChem CID 103299830) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine.

Molecular Properties

Compound Name3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine
PubChem CID103299830
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC Name3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine
SMILESCC1CCN(S(=O)(=O)c2ncccc2F)C1
InChIInChI=1S/C10H13FN2O2S/c1-8-4-6-13(7-8)16(14,15)10-9(11)3-2-5-12-10/h2-3,5,8H,4,6-7H2,1H3
InChIKeyGCWQIVUSWUIGRE-UHFFFAOYSA-N
XLogP1.25
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-tert-butylpyrrolidin-1-yl)sulfonyl-3-fluoropyridine
CID 103300413
3-ethyl-1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-amine
CID 103298431
1-ethyl-4-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methylpiperazine
CID 103300086
1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-3-sulfonamide
CID 103302923
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine
CID 103302531
3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyridine
CID 103299373
1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane
CID 103299166
[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methanol
CID 103299267
1-[(3-fluoro-2-pyridinyl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide
CID 103299708
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]acetic acid
CID 103298867
N-ethyl-1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]ethanamine
CID 103298412
N-[[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methyl]ethanamine
CID 103308642

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine?
The IUPAC name of 3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine (CID 103299830) is 3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine.
What is the SMILES notation for 3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine?
The canonical SMILES for 3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine is CC1CCN(S(=O)(=O)c2ncccc2F)C1.
What is the InChIKey of 3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine?
The InChIKey is GCWQIVUSWUIGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c1-8-4-6-13(7-8)16(14,15)10-9(11)3-2-5-12-10/h2-3,5,8H,4,6-7H2,1H3.
What are the key properties of 3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine?
3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine has a molecular weight of 244.29 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine is sourced from PubChem (CID 103299830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).