methyl 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylate

C11H13FN2O4S — CID 78918761

IUPACmethyl 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)c2cncc(F)c2)C1
InChIInChI=1S/C11H13FN2O4S/c1-18-11(15)8-2-3-14(7-8)19(16,17)10-4-9(12)5-13-6-10/h4-6,8H,2-3,7H2,1H3
InChIKeyNDOSBUZTFJMJSU-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.40
Rot. Bonds3

About methyl 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylate

methyl 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylate (PubChem CID 78918761) has the molecular formula C11H13FN2O4S and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylate
PubChem CID78918761
Molecular FormulaC11H13FN2O4S
Molecular Weight288.30 g/mol
Exact Mass288.06
IUPAC Namemethyl 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)c2cncc(F)c2)C1
InChIInChI=1S/C11H13FN2O4S/c1-18-11(15)8-2-3-14(7-8)19(16,17)10-4-9(12)5-13-6-10/h4-6,8H,2-3,7H2,1H3
InChIKeyNDOSBUZTFJMJSU-UHFFFAOYSA-N
XLogP0.40
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3S)-1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
CID 79032886
methyl 1-(2,4,6-trifluorophenyl)sulfonylpyrrolidine-3-carboxylate
CID 78968691
methyl 1-(3,4-dichlorophenyl)sulfonylpyrrolidine-3-carboxylate
CID 112732213
1-[(3R)-1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 95381894
methyl 1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidine-3-carboxylate
CID 112732193
methyl 1-(3-amino-5-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 115533410
methyl 1-(3-methylphenyl)sulfonylpyrrolidine-3-carboxylate
CID 47320003
methyl 1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine-3-carboxylate
CID 47305546
methyl 1-(3-bromophenyl)sulfonylpyrrolidine-3-carboxylate
CID 47305556
2-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-4-yl]oxyacetic acid
CID 63876850
methyl 1-[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 40947352
1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-4-carbaldehyde
CID 63844852

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylate (CID 78918761) is methyl 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylate is COC(=O)C1CCN(S(=O)(=O)c2cncc(F)c2)C1.
What is the InChIKey of methyl 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylate?
The InChIKey is NDOSBUZTFJMJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O4S/c1-18-11(15)8-2-3-14(7-8)19(16,17)10-4-9(12)5-13-6-10/h4-6,8H,2-3,7H2,1H3.
What are the key properties of methyl 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylate?
methyl 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylate has a molecular weight of 288.30 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 78918761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).