(3R)-3-[(3,4-difluorophenyl)methyl]-1-[(2R)-2-methoxypropyl]sulfonylpyrrolidine

C15H21F2NO3S — CID 124864255

IUPAC(3R)-3-[(3,4-difluorophenyl)methyl]-1-[(2R)-2-methoxypropyl]sulfonylpyrrolidine
SMILESCO[C@H](C)CS(=O)(=O)N1CC[C@@H](Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H21F2NO3S/c1-11(21-2)10-22(19,20)18-6-5-13(9-18)7-12-3-4-14(16)15(17)8-12/h3-4,8,11,13H,5-7,9-10H2,1-2H3/t11-,13+/m1/s1
InChIKeyXGTDYKOHKSAMBO-YPMHNXCESA-N
MW333.40 g/mol
LogP2.19
Rot. Bonds6

About (3R)-3-[(3,4-difluorophenyl)methyl]-1-[(2R)-2-methoxypropyl]sulfonylpyrrolidine

(3R)-3-[(3,4-difluorophenyl)methyl]-1-[(2R)-2-methoxypropyl]sulfonylpyrrolidine (PubChem CID 124864255) has the molecular formula C15H21F2NO3S and a molecular weight of 333.40 g/mol. Its IUPAC name is (3R)-3-[(3,4-difluorophenyl)methyl]-1-[(2R)-2-methoxypropyl]sulfonylpyrrolidine.

Molecular Properties

Compound Name(3R)-3-[(3,4-difluorophenyl)methyl]-1-[(2R)-2-methoxypropyl]sulfonylpyrrolidine
PubChem CID124864255
Molecular FormulaC15H21F2NO3S
Molecular Weight333.40 g/mol
Exact Mass333.12
IUPAC Name(3R)-3-[(3,4-difluorophenyl)methyl]-1-[(2R)-2-methoxypropyl]sulfonylpyrrolidine
SMILESCO[C@H](C)CS(=O)(=O)N1CC[C@@H](Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H21F2NO3S/c1-11(21-2)10-22(19,20)18-6-5-13(9-18)7-12-3-4-14(16)15(17)8-12/h3-4,8,11,13H,5-7,9-10H2,1-2H3/t11-,13+/m1/s1
InChIKeyXGTDYKOHKSAMBO-YPMHNXCESA-N
XLogP2.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxypropylsulfonyl)piperidin-4-amine
CID 120998704
4-fluoro-3-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]sulfonylbenzoic acid
CID 166621347
3-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-2-methyl-3-oxopropanoic acid
CID 122065991
(3S)-1-[(2S)-2-methoxypropyl]sulfonyl-N-phenylpiperidin-3-amine
CID 124628636
[4-[[(3S)-1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]phenyl]methanol
CID 97122596
[4-[[(3R)-1-(2-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]phenyl]methanol
CID 97122597
1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-3-methoxybutan-1-one
CID 136526783
4-(cyclobutylmethyl)-1,2-difluorobenzene
CID 58414524
1-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-2-hydroxyethanone
CID 122138939
3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine
CID 134960206
trans-(1R,2R)-2-[3-[(3,4-difluorophenyl)methyl]pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 166239722
1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834597

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3,4-difluorophenyl)methyl]-1-[(2R)-2-methoxypropyl]sulfonylpyrrolidine?
The IUPAC name of (3R)-3-[(3,4-difluorophenyl)methyl]-1-[(2R)-2-methoxypropyl]sulfonylpyrrolidine (CID 124864255) is (3R)-3-[(3,4-difluorophenyl)methyl]-1-[(2R)-2-methoxypropyl]sulfonylpyrrolidine.
What is the SMILES notation for (3R)-3-[(3,4-difluorophenyl)methyl]-1-[(2R)-2-methoxypropyl]sulfonylpyrrolidine?
The canonical SMILES for (3R)-3-[(3,4-difluorophenyl)methyl]-1-[(2R)-2-methoxypropyl]sulfonylpyrrolidine is CO[C@H](C)CS(=O)(=O)N1CC[C@@H](Cc2ccc(F)c(F)c2)C1.
What is the InChIKey of (3R)-3-[(3,4-difluorophenyl)methyl]-1-[(2R)-2-methoxypropyl]sulfonylpyrrolidine?
The InChIKey is XGTDYKOHKSAMBO-YPMHNXCESA-N. The full InChI is InChI=1S/C15H21F2NO3S/c1-11(21-2)10-22(19,20)18-6-5-13(9-18)7-12-3-4-14(16)15(17)8-12/h3-4,8,11,13H,5-7,9-10H2,1-2H3/t11-,13+/m1/s1.
What are the key properties of (3R)-3-[(3,4-difluorophenyl)methyl]-1-[(2R)-2-methoxypropyl]sulfonylpyrrolidine?
(3R)-3-[(3,4-difluorophenyl)methyl]-1-[(2R)-2-methoxypropyl]sulfonylpyrrolidine has a molecular weight of 333.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3,4-difluorophenyl)methyl]-1-[(2R)-2-methoxypropyl]sulfonylpyrrolidine is sourced from PubChem (CID 124864255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).