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

C16H24N2O4S — CID 91813618

IUPAC1-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
SMILESCOc1ccccc1S(=O)(=O)N1CCC(N2CCC(O)C2)CC1
InChIInChI=1S/C16H24N2O4S/c1-22-15-4-2-3-5-16(15)23(20,21)18-10-6-13(7-11-18)17-9-8-14(19)12-17/h2-5,13-14,19H,6-12H2,1H3
InChIKeyUCJFTVDAOOVLQK-UHFFFAOYSA-N
MW340.44 g/mol
LogP0.91
Rot. Bonds4

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

1-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol (PubChem CID 91813618) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 1-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
PubChem CID91813618
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name1-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
SMILESCOc1ccccc1S(=O)(=O)N1CCC(N2CCC(O)C2)CC1
InChIInChI=1S/C16H24N2O4S/c1-22-15-4-2-3-5-16(15)23(20,21)18-10-6-13(7-11-18)17-9-8-14(19)12-17/h2-5,13-14,19H,6-12H2,1H3
InChIKeyUCJFTVDAOOVLQK-UHFFFAOYSA-N
XLogP0.91
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol (CID 91813618) is 1-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol is COc1ccccc1S(=O)(=O)N1CCC(N2CCC(O)C2)CC1.
What is the InChIKey of 1-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol?
The InChIKey is UCJFTVDAOOVLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-22-15-4-2-3-5-16(15)23(20,21)18-10-6-13(7-11-18)17-9-8-14(19)12-17/h2-5,13-14,19H,6-12H2,1H3.
What are the key properties of 1-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol?
1-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol has a molecular weight of 340.44 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 91813618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).