(1R,2R,5R,6R)-2,6-dimethyl-9-thiabicyclo[3.3.1]nonane-2,6-diol

C10H18O2S — CID 102437455

IUPAC(1R,2R,5R,6R)-2,6-dimethyl-9-thiabicyclo[3.3.1]nonane-2,6-diol
SMILESC[C@@]1(O)CC[C@H]2S[C@@H]1CC[C@@]2(C)O
InChIInChI=1S/C10H18O2S/c1-9(11)5-3-8-10(2,12)6-4-7(9)13-8/h7-8,11-12H,3-6H2,1-2H3/t7-,8-,9-,10-/m1/s1
InChIKeyRXIAFMBSDFGTHX-ZYUZMQFOSA-N
MW202.32 g/mol
LogP1.55
Rot. Bonds

About (1R,2R,5R,6R)-2,6-dimethyl-9-thiabicyclo[3.3.1]nonane-2,6-diol

(1R,2R,5R,6R)-2,6-dimethyl-9-thiabicyclo[3.3.1]nonane-2,6-diol (PubChem CID 102437455) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is (1R,2R,5R,6R)-2,6-dimethyl-9-thiabicyclo[3.3.1]nonane-2,6-diol.

Molecular Properties

Compound Name(1R,2R,5R,6R)-2,6-dimethyl-9-thiabicyclo[3.3.1]nonane-2,6-diol
PubChem CID102437455
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name(1R,2R,5R,6R)-2,6-dimethyl-9-thiabicyclo[3.3.1]nonane-2,6-diol
SMILESC[C@@]1(O)CC[C@H]2S[C@@H]1CC[C@@]2(C)O
InChIInChI=1S/C10H18O2S/c1-9(11)5-3-8-10(2,12)6-4-7(9)13-8/h7-8,11-12H,3-6H2,1-2H3/t7-,8-,9-,10-/m1/s1
InChIKeyRXIAFMBSDFGTHX-ZYUZMQFOSA-N
XLogP1.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,2R,5R,6R)-2,6-dimethyl-9-thiabicyclo[3.3.1]nonane-2,6-diol with MolForge

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Related Compounds

(2R)-1-methylcyclobutane-1,2-diol
CID 130694777
1,2,3-trimethylcyclopentan-1-ol
CID 23077337
trans-(1R,2R)-2-tert-butyl-1-methylcyclobutan-1-ol
CID 171582108
3,4-dimethyl-2-thiabicyclo[2.2.0]hexane
CID 123792022
(1S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 51004058
(1S,2R)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 91871275
2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-ol
CID 15876938
5,6-dimethyloxane-2,5-diol
CID 20542587
(1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol
CID 98172819
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535
(1aS,4S,4aR,7R,7aR,7bR)-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulene-4,7-diol
CID 40630704
(1aR,4R,4aR,7R,7aR,7bR)-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulene-4,7-diol
CID 42433551

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R,6R)-2,6-dimethyl-9-thiabicyclo[3.3.1]nonane-2,6-diol?
The IUPAC name of (1R,2R,5R,6R)-2,6-dimethyl-9-thiabicyclo[3.3.1]nonane-2,6-diol (CID 102437455) is (1R,2R,5R,6R)-2,6-dimethyl-9-thiabicyclo[3.3.1]nonane-2,6-diol.
What is the SMILES notation for (1R,2R,5R,6R)-2,6-dimethyl-9-thiabicyclo[3.3.1]nonane-2,6-diol?
The canonical SMILES for (1R,2R,5R,6R)-2,6-dimethyl-9-thiabicyclo[3.3.1]nonane-2,6-diol is C[C@@]1(O)CC[C@H]2S[C@@H]1CC[C@@]2(C)O.
What is the InChIKey of (1R,2R,5R,6R)-2,6-dimethyl-9-thiabicyclo[3.3.1]nonane-2,6-diol?
The InChIKey is RXIAFMBSDFGTHX-ZYUZMQFOSA-N. The full InChI is InChI=1S/C10H18O2S/c1-9(11)5-3-8-10(2,12)6-4-7(9)13-8/h7-8,11-12H,3-6H2,1-2H3/t7-,8-,9-,10-/m1/s1.
What are the key properties of (1R,2R,5R,6R)-2,6-dimethyl-9-thiabicyclo[3.3.1]nonane-2,6-diol?
(1R,2R,5R,6R)-2,6-dimethyl-9-thiabicyclo[3.3.1]nonane-2,6-diol has a molecular weight of 202.32 g/mol, XLogP of 1.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R,6R)-2,6-dimethyl-9-thiabicyclo[3.3.1]nonane-2,6-diol is sourced from PubChem (CID 102437455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).