2-(3-tert-butylpyrrolidin-1-yl)sulfonyl-3-fluoropyridine

C13H19FN2O2S — CID 103300413

IUPAC2-(3-tert-butylpyrrolidin-1-yl)sulfonyl-3-fluoropyridine
SMILESCC(C)(C)C1CCN(S(=O)(=O)c2ncccc2F)C1
InChIInChI=1S/C13H19FN2O2S/c1-13(2,3)10-6-8-16(9-10)19(17,18)12-11(14)5-4-7-15-12/h4-5,7,10H,6,8-9H2,1-3H3
InChIKeySMPGJYSOLZBADE-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.28
Rot. Bonds2

About 2-(3-tert-butylpyrrolidin-1-yl)sulfonyl-3-fluoropyridine

2-(3-tert-butylpyrrolidin-1-yl)sulfonyl-3-fluoropyridine (PubChem CID 103300413) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-(3-tert-butylpyrrolidin-1-yl)sulfonyl-3-fluoropyridine.

Molecular Properties

Compound Name2-(3-tert-butylpyrrolidin-1-yl)sulfonyl-3-fluoropyridine
PubChem CID103300413
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name2-(3-tert-butylpyrrolidin-1-yl)sulfonyl-3-fluoropyridine
SMILESCC(C)(C)C1CCN(S(=O)(=O)c2ncccc2F)C1
InChIInChI=1S/C13H19FN2O2S/c1-13(2,3)10-6-8-16(9-10)19(17,18)12-11(14)5-4-7-15-12/h4-5,7,10H,6,8-9H2,1-3H3
InChIKeySMPGJYSOLZBADE-UHFFFAOYSA-N
XLogP2.28
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine
CID 103299830
3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyridine
CID 103299373
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]piperidine-3-sulfonamide
CID 103302923
1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane
CID 103299166
[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methanol
CID 103299267
1-ethyl-4-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methylpiperazine
CID 103300086
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
1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 103299442
N-ethyl-1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]ethanamine
CID 103298412

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylpyrrolidin-1-yl)sulfonyl-3-fluoropyridine?
The IUPAC name of 2-(3-tert-butylpyrrolidin-1-yl)sulfonyl-3-fluoropyridine (CID 103300413) is 2-(3-tert-butylpyrrolidin-1-yl)sulfonyl-3-fluoropyridine.
What is the SMILES notation for 2-(3-tert-butylpyrrolidin-1-yl)sulfonyl-3-fluoropyridine?
The canonical SMILES for 2-(3-tert-butylpyrrolidin-1-yl)sulfonyl-3-fluoropyridine is CC(C)(C)C1CCN(S(=O)(=O)c2ncccc2F)C1.
What is the InChIKey of 2-(3-tert-butylpyrrolidin-1-yl)sulfonyl-3-fluoropyridine?
The InChIKey is SMPGJYSOLZBADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-13(2,3)10-6-8-16(9-10)19(17,18)12-11(14)5-4-7-15-12/h4-5,7,10H,6,8-9H2,1-3H3.
What are the key properties of 2-(3-tert-butylpyrrolidin-1-yl)sulfonyl-3-fluoropyridine?
2-(3-tert-butylpyrrolidin-1-yl)sulfonyl-3-fluoropyridine has a molecular weight of 286.37 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylpyrrolidin-1-yl)sulfonyl-3-fluoropyridine is sourced from PubChem (CID 103300413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).