(1S,2R)-8-(4-methylphenyl)sulfonyl-5-phenyl-8-azabicyclo[3.2.1]octan-2-ol

C20H23NO3S — CID 155933092

IUPAC(1S,2R)-8-(4-methylphenyl)sulfonyl-5-phenyl-8-azabicyclo[3.2.1]octan-2-ol
SMILESCc1ccc(S(=O)(=O)N2[C@H]3CCC2(c2ccccc2)CC[C@H]3O)cc1
InChIInChI=1S/C20H23NO3S/c1-15-7-9-17(10-8-15)25(23,24)21-18-11-13-20(21,14-12-19(18)22)16-5-3-2-4-6-16/h2-10,18-19,22H,11-14H2,1H3/t18-,19+,20?/m0/s1
InChIKeySRUHFUAFIQORFS-ABZYKWASSA-N
MW357.48 g/mol
LogP3.20
Rot. Bonds3

About (1S,2R)-8-(4-methylphenyl)sulfonyl-5-phenyl-8-azabicyclo[3.2.1]octan-2-ol

(1S,2R)-8-(4-methylphenyl)sulfonyl-5-phenyl-8-azabicyclo[3.2.1]octan-2-ol (PubChem CID 155933092) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is (1S,2R)-8-(4-methylphenyl)sulfonyl-5-phenyl-8-azabicyclo[3.2.1]octan-2-ol.

Molecular Properties

Compound Name(1S,2R)-8-(4-methylphenyl)sulfonyl-5-phenyl-8-azabicyclo[3.2.1]octan-2-ol
PubChem CID155933092
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC Name(1S,2R)-8-(4-methylphenyl)sulfonyl-5-phenyl-8-azabicyclo[3.2.1]octan-2-ol
SMILESCc1ccc(S(=O)(=O)N2[C@H]3CCC2(c2ccccc2)CC[C@H]3O)cc1
InChIInChI=1S/C20H23NO3S/c1-15-7-9-17(10-8-15)25(23,24)21-18-11-13-20(21,14-12-19(18)22)16-5-3-2-4-6-16/h2-10,18-19,22H,11-14H2,1H3/t18-,19+,20?/m0/s1
InChIKeySRUHFUAFIQORFS-ABZYKWASSA-N
XLogP3.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-8-(4-methylphenyl)sulfonyl-5-phenyl-8-azabicyclo[3.2.1]octan-2-ol?
The IUPAC name of (1S,2R)-8-(4-methylphenyl)sulfonyl-5-phenyl-8-azabicyclo[3.2.1]octan-2-ol (CID 155933092) is (1S,2R)-8-(4-methylphenyl)sulfonyl-5-phenyl-8-azabicyclo[3.2.1]octan-2-ol.
What is the SMILES notation for (1S,2R)-8-(4-methylphenyl)sulfonyl-5-phenyl-8-azabicyclo[3.2.1]octan-2-ol?
The canonical SMILES for (1S,2R)-8-(4-methylphenyl)sulfonyl-5-phenyl-8-azabicyclo[3.2.1]octan-2-ol is Cc1ccc(S(=O)(=O)N2[C@H]3CCC2(c2ccccc2)CC[C@H]3O)cc1.
What is the InChIKey of (1S,2R)-8-(4-methylphenyl)sulfonyl-5-phenyl-8-azabicyclo[3.2.1]octan-2-ol?
The InChIKey is SRUHFUAFIQORFS-ABZYKWASSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-15-7-9-17(10-8-15)25(23,24)21-18-11-13-20(21,14-12-19(18)22)16-5-3-2-4-6-16/h2-10,18-19,22H,11-14H2,1H3/t18-,19+,20?/m0/s1.
What are the key properties of (1S,2R)-8-(4-methylphenyl)sulfonyl-5-phenyl-8-azabicyclo[3.2.1]octan-2-ol?
(1S,2R)-8-(4-methylphenyl)sulfonyl-5-phenyl-8-azabicyclo[3.2.1]octan-2-ol has a molecular weight of 357.48 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-8-(4-methylphenyl)sulfonyl-5-phenyl-8-azabicyclo[3.2.1]octan-2-ol is sourced from PubChem (CID 155933092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).