8-(4-pyrrolidin-1-ylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol

C17H24N2O3S — CID 167908174

IUPAC8-(4-pyrrolidin-1-ylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=S(=O)(c1ccc(N2C3CCC2CC(O)C3)cc1)N1CCCC1
InChIInChI=1S/C17H24N2O3S/c20-16-11-14-3-4-15(12-16)19(14)13-5-7-17(8-6-13)23(21,22)18-9-1-2-10-18/h5-8,14-16,20H,1-4,9-12H2
InChIKeyQLAFIQSJWHHAEQ-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.96
Rot. Bonds3

About 8-(4-pyrrolidin-1-ylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(4-pyrrolidin-1-ylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 167908174) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 8-(4-pyrrolidin-1-ylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(4-pyrrolidin-1-ylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID167908174
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name8-(4-pyrrolidin-1-ylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=S(=O)(c1ccc(N2C3CCC2CC(O)C3)cc1)N1CCCC1
InChIInChI=1S/C17H24N2O3S/c20-16-11-14-3-4-15(12-16)19(14)13-5-7-17(8-6-13)23(21,22)18-9-1-2-10-18/h5-8,14-16,20H,1-4,9-12H2
InChIKeyQLAFIQSJWHHAEQ-UHFFFAOYSA-N
XLogP1.96
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(4-ethylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63762637
(3S)-5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxylic acid
CID 28732907
(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 90591104
3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 17441399
1-[4-(azepan-1-ylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 42652125
(1R,5S)-8-(4-tert-butylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 46880557
(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 90591106
4-(azocan-1-ylsulfonyl)benzoic acid
CID 23604687
1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine
CID 648905
1,4-bis[(4-cyclohexylphenyl)sulfonyl]-1,4-diazepane
CID 3720140
N-cycloheptyl-N-(4-piperidin-1-ylsulfonylphenyl)carbamate
CID 57371835
(3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol
CID 71654100

Frequently Asked Questions

What is the IUPAC name of 8-(4-pyrrolidin-1-ylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(4-pyrrolidin-1-ylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 167908174) is 8-(4-pyrrolidin-1-ylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(4-pyrrolidin-1-ylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(4-pyrrolidin-1-ylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol is O=S(=O)(c1ccc(N2C3CCC2CC(O)C3)cc1)N1CCCC1.
What is the InChIKey of 8-(4-pyrrolidin-1-ylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is QLAFIQSJWHHAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c20-16-11-14-3-4-15(12-16)19(14)13-5-7-17(8-6-13)23(21,22)18-9-1-2-10-18/h5-8,14-16,20H,1-4,9-12H2.
What are the key properties of 8-(4-pyrrolidin-1-ylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(4-pyrrolidin-1-ylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 336.46 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-pyrrolidin-1-ylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 167908174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).