(1R,3S,7S,9R)-2-thiatricyclo[7.3.0.03,7]dodecane

C11H18S — CID 101020983

IUPAC(1R,3S,7S,9R)-2-thiatricyclo[7.3.0.03,7]dodecane
SMILESC1C[C@H]2C[C@H]3CCC[C@H]3S[C@H]2C1
InChIInChI=1S/C11H18S/c1-3-8-7-9-4-2-6-11(9)12-10(8)5-1/h8-11H,1-7H2/t8-,9+,10-,11+
InChIKeyHZZZUXZJXPBGOQ-DTIDVZRVSA-N
MW182.33 g/mol
LogP3.46
Rot. Bonds

About (1R,3S,7S,9R)-2-thiatricyclo[7.3.0.03,7]dodecane

(1R,3S,7S,9R)-2-thiatricyclo[7.3.0.03,7]dodecane (PubChem CID 101020983) has the molecular formula C11H18S and a molecular weight of 182.33 g/mol. Its IUPAC name is (1R,3S,7S,9R)-2-thiatricyclo[7.3.0.03,7]dodecane.

Molecular Properties

Compound Name(1R,3S,7S,9R)-2-thiatricyclo[7.3.0.03,7]dodecane
PubChem CID101020983
Molecular FormulaC11H18S
Molecular Weight182.33 g/mol
Exact Mass182.11
IUPAC Name(1R,3S,7S,9R)-2-thiatricyclo[7.3.0.03,7]dodecane
SMILESC1C[C@H]2C[C@H]3CCC[C@H]3S[C@H]2C1
InChIInChI=1S/C11H18S/c1-3-8-7-9-4-2-6-11(9)12-10(8)5-1/h8-11H,1-7H2/t8-,9+,10-,11+
InChIKeyHZZZUXZJXPBGOQ-DTIDVZRVSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

pentacyclo[11.9.0.03,11.05,9.015,21]docosane
CID 132819456
bis(bicyclo[3.1.0]hexane);trihydrochloride
CID 69185190
tricyclo[4.3.1.12,5]undecane
CID 13070377
bicyclo[21.1.0]tetracosane
CID 123789596
bicyclo[3.1.0]hexane;dihydrochloride
CID 141306080
bicyclo[11.1.0]tetradecane
CID 90981498
7-thiatricyclo[6.3.0.02,6]undecane
CID 58594501
4-cyclobutylbicyclo[6.1.0]nonane
CID 123166023
2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene
CID 123828031
2,6-bis(thiiran-2-yl)thiane
CID 87706700
17-thiatetracyclo[8.7.0.03,8.011,16]heptadecane
CID 166041120
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309

Frequently Asked Questions

What is the IUPAC name of (1R,3S,7S,9R)-2-thiatricyclo[7.3.0.03,7]dodecane?
The IUPAC name of (1R,3S,7S,9R)-2-thiatricyclo[7.3.0.03,7]dodecane (CID 101020983) is (1R,3S,7S,9R)-2-thiatricyclo[7.3.0.03,7]dodecane.
What is the SMILES notation for (1R,3S,7S,9R)-2-thiatricyclo[7.3.0.03,7]dodecane?
The canonical SMILES for (1R,3S,7S,9R)-2-thiatricyclo[7.3.0.03,7]dodecane is C1C[C@H]2C[C@H]3CCC[C@H]3S[C@H]2C1.
What is the InChIKey of (1R,3S,7S,9R)-2-thiatricyclo[7.3.0.03,7]dodecane?
The InChIKey is HZZZUXZJXPBGOQ-DTIDVZRVSA-N. The full InChI is InChI=1S/C11H18S/c1-3-8-7-9-4-2-6-11(9)12-10(8)5-1/h8-11H,1-7H2/t8-,9+,10-,11+.
What are the key properties of (1R,3S,7S,9R)-2-thiatricyclo[7.3.0.03,7]dodecane?
(1R,3S,7S,9R)-2-thiatricyclo[7.3.0.03,7]dodecane has a molecular weight of 182.33 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,7S,9R)-2-thiatricyclo[7.3.0.03,7]dodecane is sourced from PubChem (CID 101020983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).