(2R)-1-(benzenesulfonylmethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol

C16H22O3S — CID 67921091

IUPAC(2R)-1-(benzenesulfonylmethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1(CS(=O)(=O)c1ccccc1)[C@H](O)C2
InChIInChI=1S/C16H22O3S/c1-15(2)12-8-9-16(15,14(17)10-12)11-20(18,19)13-6-4-3-5-7-13/h3-7,12,14,17H,8-11H2,1-2H3/t12?,14-,16?/m1/s1
InChIKeyZDADNEWRBSNRES-CXOJTPOUSA-N
MW294.42 g/mol
LogP2.65
Rot. Bonds3

About (2R)-1-(benzenesulfonylmethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol

(2R)-1-(benzenesulfonylmethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 67921091) has the molecular formula C16H22O3S and a molecular weight of 294.42 g/mol. Its IUPAC name is (2R)-1-(benzenesulfonylmethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(2R)-1-(benzenesulfonylmethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID67921091
Molecular FormulaC16H22O3S
Molecular Weight294.42 g/mol
Exact Mass294.13
IUPAC Name(2R)-1-(benzenesulfonylmethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1(CS(=O)(=O)c1ccccc1)[C@H](O)C2
InChIInChI=1S/C16H22O3S/c1-15(2)12-8-9-16(15,14(17)10-12)11-20(18,19)13-6-4-3-5-7-13/h3-7,12,14,17H,8-11H2,1-2H3/t12?,14-,16?/m1/s1
InChIKeyZDADNEWRBSNRES-CXOJTPOUSA-N
XLogP2.65
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(benzenesulfonylmethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (2R)-1-(benzenesulfonylmethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol (CID 67921091) is (2R)-1-(benzenesulfonylmethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (2R)-1-(benzenesulfonylmethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (2R)-1-(benzenesulfonylmethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol is CC1(C)C2CCC1(CS(=O)(=O)c1ccccc1)[C@H](O)C2.
What is the InChIKey of (2R)-1-(benzenesulfonylmethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is ZDADNEWRBSNRES-CXOJTPOUSA-N. The full InChI is InChI=1S/C16H22O3S/c1-15(2)12-8-9-16(15,14(17)10-12)11-20(18,19)13-6-4-3-5-7-13/h3-7,12,14,17H,8-11H2,1-2H3/t12?,14-,16?/m1/s1.
What are the key properties of (2R)-1-(benzenesulfonylmethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
(2R)-1-(benzenesulfonylmethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 294.42 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(benzenesulfonylmethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 67921091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).