(3S)-1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol

C15H20F2N2O3S — CID 97415192

IUPAC(3S)-1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
SMILESO=S(=O)(c1c(F)cccc1F)N1CCC(N2CC[C@H](O)C2)CC1
InChIInChI=1S/C15H20F2N2O3S/c16-13-2-1-3-14(17)15(13)23(21,22)19-8-4-11(5-9-19)18-7-6-12(20)10-18/h1-3,11-12,20H,4-10H2/t12-/m0/s1
InChIKeyHCQFWLQJVPJVEF-LBPRGKRZSA-N
MW346.40 g/mol
LogP1.18
Rot. Bonds3

About (3S)-1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol

(3S)-1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol (PubChem CID 97415192) has the molecular formula C15H20F2N2O3S and a molecular weight of 346.40 g/mol. Its IUPAC name is (3S)-1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
PubChem CID97415192
Molecular FormulaC15H20F2N2O3S
Molecular Weight346.40 g/mol
Exact Mass346.12
IUPAC Name(3S)-1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
SMILESO=S(=O)(c1c(F)cccc1F)N1CCC(N2CC[C@H](O)C2)CC1
InChIInChI=1S/C15H20F2N2O3S/c16-13-2-1-3-14(17)15(13)23(21,22)19-8-4-11(5-9-19)18-7-6-12(20)10-18/h1-3,11-12,20H,4-10H2/t12-/m0/s1
InChIKeyHCQFWLQJVPJVEF-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

1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-ol
CID 62917651
(3S)-1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
CID 97415190
(3R)-1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
CID 97415191
1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine
CID 90616613
(3S)-1-(2-amino-6-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 94895335
1-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
CID 91813618
1-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154153
(3R)-1-[1-[4-(3-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]pyrrolidin-3-ol
CID 97415211
1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979763
(3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993401
2-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115744958
1-(azetidin-3-yl)-4-(2,6-difluorophenyl)sulfonylpiperazine
CID 66203131

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol (CID 97415192) is (3S)-1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol is O=S(=O)(c1c(F)cccc1F)N1CCC(N2CC[C@H](O)C2)CC1.
What is the InChIKey of (3S)-1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol?
The InChIKey is HCQFWLQJVPJVEF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20F2N2O3S/c16-13-2-1-3-14(17)15(13)23(21,22)19-8-4-11(5-9-19)18-7-6-12(20)10-18/h1-3,11-12,20H,4-10H2/t12-/m0/s1.
What are the key properties of (3S)-1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol?
(3S)-1-[1-(2,6-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-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 97415192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).