(3S)-1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol

C15H20F2N2O3S — CID 97415190

IUPAC(3S)-1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCC(N2CC[C@H](O)C2)CC1
InChIInChI=1S/C15H20F2N2O3S/c16-14-2-1-13(9-15(14)17)23(21,22)19-7-3-11(4-8-19)18-6-5-12(20)10-18/h1-2,9,11-12,20H,3-8,10H2/t12-/m0/s1
InChIKeyXJSZLYTUVZLUHU-LBPRGKRZSA-N
MW346.40 g/mol
LogP1.18
Rot. Bonds3

About (3S)-1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol

(3S)-1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol (PubChem CID 97415190) has the molecular formula C15H20F2N2O3S and a molecular weight of 346.40 g/mol. Its IUPAC name is (3S)-1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
PubChem CID97415190
Molecular FormulaC15H20F2N2O3S
Molecular Weight346.40 g/mol
Exact Mass346.12
IUPAC Name(3S)-1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCC(N2CC[C@H](O)C2)CC1
InChIInChI=1S/C15H20F2N2O3S/c16-14-2-1-13(9-15(14)17)23(21,22)19-7-3-11(4-8-19)18-6-5-12(20)10-18/h1-2,9,11-12,20H,3-8,10H2/t12-/m0/s1
InChIKeyXJSZLYTUVZLUHU-LBPRGKRZSA-N
XLogP1.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
CID 97415191
(3S)-1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
CID 97415192
(3R)-1-[1-[4-(3-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]pyrrolidin-3-ol
CID 97415211
(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291700
1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 155823226
1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834597
(3R)-1-(3-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol
CID 82854595
1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpyrrolidin-3-ol
CID 63288683
(3S)-1-(3,4-difluorophenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 97354830
(3aS,6aR)-2-(3,4-difluorophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 173069403
4-cyclopropylidene-1-(3,4-difluorophenyl)sulfonylpiperidine
CID 121187202
1-(3,4-difluorophenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868603

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol (CID 97415190) is (3S)-1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol is O=S(=O)(c1ccc(F)c(F)c1)N1CCC(N2CC[C@H](O)C2)CC1.
What is the InChIKey of (3S)-1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol?
The InChIKey is XJSZLYTUVZLUHU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20F2N2O3S/c16-14-2-1-13(9-15(14)17)23(21,22)19-7-3-11(4-8-19)18-6-5-12(20)10-18/h1-2,9,11-12,20H,3-8,10H2/t12-/m0/s1.
What are the key properties of (3S)-1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol?
(3S)-1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol has a molecular weight of 346.40 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 97415190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).