[(2S,4S)-4-fluoro-1-(4-propylphenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone

C19H27FN2O3S — CID 110876178

IUPAC[(2S,4S)-4-fluoro-1-(4-propylphenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone
SMILESCCCc1ccc(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H27FN2O3S/c1-2-6-15-7-9-17(10-8-15)26(24,25)22-14-16(20)13-18(22)19(23)21-11-4-3-5-12-21/h7-10,16,18H,2-6,11-14H2,1H3/t16-,18-/m0/s1
InChIKeyCDRIPROJLFAZBU-WMZOPIPTSA-N
MW382.50 g/mol
LogP2.75
Rot. Bonds5

About [(2S,4S)-4-fluoro-1-(4-propylphenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone

[(2S,4S)-4-fluoro-1-(4-propylphenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 110876178) has the molecular formula C19H27FN2O3S and a molecular weight of 382.50 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-(4-propylphenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-(4-propylphenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone
PubChem CID110876178
Molecular FormulaC19H27FN2O3S
Molecular Weight382.50 g/mol
Exact Mass382.17
IUPAC Name[(2S,4S)-4-fluoro-1-(4-propylphenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone
SMILESCCCc1ccc(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H27FN2O3S/c1-2-6-15-7-9-17(10-8-15)26(24,25)22-14-16(20)13-18(22)19(23)21-11-4-3-5-12-21/h7-10,16,18H,2-6,11-14H2,1H3/t16-,18-/m0/s1
InChIKeyCDRIPROJLFAZBU-WMZOPIPTSA-N
XLogP2.75
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-(4-propylphenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(2S,4S)-4-fluoro-1-(4-propylphenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone (CID 110876178) is [(2S,4S)-4-fluoro-1-(4-propylphenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-(4-propylphenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(2S,4S)-4-fluoro-1-(4-propylphenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone is CCCc1ccc(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)N2CCCCC2)cc1.
What is the InChIKey of [(2S,4S)-4-fluoro-1-(4-propylphenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is CDRIPROJLFAZBU-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H27FN2O3S/c1-2-6-15-7-9-17(10-8-15)26(24,25)22-14-16(20)13-18(22)19(23)21-11-4-3-5-12-21/h7-10,16,18H,2-6,11-14H2,1H3/t16-,18-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-(4-propylphenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone?
[(2S,4S)-4-fluoro-1-(4-propylphenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 382.50 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-1-(4-propylphenyl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 110876178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).