1-[1-(2-bromophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol

C15H21BrN2O3S — CID 71809740

IUPAC1-[1-(2-bromophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
SMILESO=S(=O)(c1ccccc1Br)N1CCC(N2CCC(O)C2)CC1
InChIInChI=1S/C15H21BrN2O3S/c16-14-3-1-2-4-15(14)22(20,21)18-9-5-12(6-10-18)17-8-7-13(19)11-17/h1-4,12-13,19H,5-11H2
InChIKeyAAWDOXNHNQVSPF-UHFFFAOYSA-N
MW389.32 g/mol
LogP1.67
Rot. Bonds3

About 1-[1-(2-bromophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol

1-[1-(2-bromophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol (PubChem CID 71809740) has the molecular formula C15H21BrN2O3S and a molecular weight of 389.32 g/mol. Its IUPAC name is 1-[1-(2-bromophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[1-(2-bromophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
PubChem CID71809740
Molecular FormulaC15H21BrN2O3S
Molecular Weight389.32 g/mol
Exact Mass388.05
IUPAC Name1-[1-(2-bromophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
SMILESO=S(=O)(c1ccccc1Br)N1CCC(N2CCC(O)C2)CC1
InChIInChI=1S/C15H21BrN2O3S/c16-14-3-1-2-4-15(14)22(20,21)18-9-5-12(6-10-18)17-8-7-13(19)11-17/h1-4,12-13,19H,5-11H2
InChIKeyAAWDOXNHNQVSPF-UHFFFAOYSA-N
XLogP1.67
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[1-(2-bromophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol (CID 71809740) is 1-[1-(2-bromophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[1-(2-bromophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[1-(2-bromophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol is O=S(=O)(c1ccccc1Br)N1CCC(N2CCC(O)C2)CC1.
What is the InChIKey of 1-[1-(2-bromophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol?
The InChIKey is AAWDOXNHNQVSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3S/c16-14-3-1-2-4-15(14)22(20,21)18-9-5-12(6-10-18)17-8-7-13(19)11-17/h1-4,12-13,19H,5-11H2.
What are the key properties of 1-[1-(2-bromophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol?
1-[1-(2-bromophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol has a molecular weight of 389.32 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 71809740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).