(1R,7S,9R)-9-(benzenesulfonyl)bicyclo[5.2.0]nonan-1-ol

C15H20O3S — CID 10934846

IUPAC(1R,7S,9R)-9-(benzenesulfonyl)bicyclo[5.2.0]nonan-1-ol
SMILESO=S(=O)(c1ccccc1)[C@@H]1C[C@@H]2CCCCC[C@@]21O
InChIInChI=1S/C15H20O3S/c16-15-10-6-2-3-7-12(15)11-14(15)19(17,18)13-8-4-1-5-9-13/h1,4-5,8-9,12,14,16H,2-3,6-7,10-11H2/t12-,14+,15+/m0/s1
InChIKeyLDDHTYACGRJQFR-NWANDNLSSA-N
MW280.39 g/mol
LogP2.54
Rot. Bonds2

About (1R,7S,9R)-9-(benzenesulfonyl)bicyclo[5.2.0]nonan-1-ol

(1R,7S,9R)-9-(benzenesulfonyl)bicyclo[5.2.0]nonan-1-ol (PubChem CID 10934846) has the molecular formula C15H20O3S and a molecular weight of 280.39 g/mol. Its IUPAC name is (1R,7S,9R)-9-(benzenesulfonyl)bicyclo[5.2.0]nonan-1-ol.

Molecular Properties

Compound Name(1R,7S,9R)-9-(benzenesulfonyl)bicyclo[5.2.0]nonan-1-ol
PubChem CID10934846
Molecular FormulaC15H20O3S
Molecular Weight280.39 g/mol
Exact Mass280.11
IUPAC Name(1R,7S,9R)-9-(benzenesulfonyl)bicyclo[5.2.0]nonan-1-ol
SMILESO=S(=O)(c1ccccc1)[C@@H]1C[C@@H]2CCCCC[C@@]21O
InChIInChI=1S/C15H20O3S/c16-15-10-6-2-3-7-12(15)11-14(15)19(17,18)13-8-4-1-5-9-13/h1,4-5,8-9,12,14,16H,2-3,6-7,10-11H2/t12-,14+,15+/m0/s1
InChIKeyLDDHTYACGRJQFR-NWANDNLSSA-N
XLogP2.54
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-(benzenesulfonyl)-1-(hydroxymethyl)cyclopropyl]methanol
CID 99999155
cis-(1S,2R)-2-(benzenesulfonyl)cyclohexan-1-ol
CID 11746739
[(1R)-2,2-dimethylcyclopropyl]sulfonylbenzene
CID 95562608
[(1R,2R)-2-methylcyclohexyl]sulfonylbenzene
CID 102011157
1-(benzenesulfonylmethyl)bicyclo[4.1.0]heptane
CID 102030045
trans-(1S,2S)-2-cyclohexyl-2-hydroxycyclohexane-1-carboxylic acid
CID 102532516
2-(benzenesulfonyl)-N-methylcyclooctan-1-amine
CID 62917384
[1-(aminomethyl)-2-(benzenesulfonyl)cyclopropyl]methanol
CID 102568969
(1-cyclohexylcyclohexyl) benzoate
CID 54286012
2-(benzenesulfonyl)cycloheptan-1-amine
CID 62916688
cis-(1S,2R)-1-amino-2-(benzenesulfonyl)cyclopropane-1-carboxylic acid
CID 99999201
(4R,4aR,8aR)-4-benzyl-1,3,4,5,6,7,8,8a-octahydroisochromen-4a-ol
CID 160788342

Frequently Asked Questions

What is the IUPAC name of (1R,7S,9R)-9-(benzenesulfonyl)bicyclo[5.2.0]nonan-1-ol?
The IUPAC name of (1R,7S,9R)-9-(benzenesulfonyl)bicyclo[5.2.0]nonan-1-ol (CID 10934846) is (1R,7S,9R)-9-(benzenesulfonyl)bicyclo[5.2.0]nonan-1-ol.
What is the SMILES notation for (1R,7S,9R)-9-(benzenesulfonyl)bicyclo[5.2.0]nonan-1-ol?
The canonical SMILES for (1R,7S,9R)-9-(benzenesulfonyl)bicyclo[5.2.0]nonan-1-ol is O=S(=O)(c1ccccc1)[C@@H]1C[C@@H]2CCCCC[C@@]21O.
What is the InChIKey of (1R,7S,9R)-9-(benzenesulfonyl)bicyclo[5.2.0]nonan-1-ol?
The InChIKey is LDDHTYACGRJQFR-NWANDNLSSA-N. The full InChI is InChI=1S/C15H20O3S/c16-15-10-6-2-3-7-12(15)11-14(15)19(17,18)13-8-4-1-5-9-13/h1,4-5,8-9,12,14,16H,2-3,6-7,10-11H2/t12-,14+,15+/m0/s1.
What are the key properties of (1R,7S,9R)-9-(benzenesulfonyl)bicyclo[5.2.0]nonan-1-ol?
(1R,7S,9R)-9-(benzenesulfonyl)bicyclo[5.2.0]nonan-1-ol has a molecular weight of 280.39 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7S,9R)-9-(benzenesulfonyl)bicyclo[5.2.0]nonan-1-ol is sourced from PubChem (CID 10934846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).