(4S)-6,11-dimethyl-9-thiatricyclo[6.2.1.04,10]undecane

C12H20S — CID 167017357

IUPAC(4S)-6,11-dimethyl-9-thiatricyclo[6.2.1.04,10]undecane
SMILESCC1CC2SC3C(CC[C@H]3C1)C2C
InChIInChI=1S/C12H20S/c1-7-5-9-3-4-10-8(2)11(6-7)13-12(9)10/h7-12H,3-6H2,1-2H3/t7?,8?,9-,10?,11?,12?/m0/s1
InChIKeyZWHDXWJXVIFREO-GISRUYEVSA-N
MW196.36 g/mol
LogP3.56
Rot. Bonds

About (4S)-6,11-dimethyl-9-thiatricyclo[6.2.1.04,10]undecane

(4S)-6,11-dimethyl-9-thiatricyclo[6.2.1.04,10]undecane (PubChem CID 167017357) has the molecular formula C12H20S and a molecular weight of 196.36 g/mol. Its IUPAC name is (4S)-6,11-dimethyl-9-thiatricyclo[6.2.1.04,10]undecane.

Molecular Properties

Compound Name(4S)-6,11-dimethyl-9-thiatricyclo[6.2.1.04,10]undecane
PubChem CID167017357
Molecular FormulaC12H20S
Molecular Weight196.36 g/mol
Exact Mass196.13
IUPAC Name(4S)-6,11-dimethyl-9-thiatricyclo[6.2.1.04,10]undecane
SMILESCC1CC2SC3C(CC[C@H]3C1)C2C
InChIInChI=1S/C12H20S/c1-7-5-9-3-4-10-8(2)11(6-7)13-12(9)10/h7-12H,3-6H2,1-2H3/t7?,8?,9-,10?,11?,12?/m0/s1
InChIKeyZWHDXWJXVIFREO-GISRUYEVSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4S)-6,11-dimethyl-9-thiatricyclo[6.2.1.04,10]undecane with MolForge

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Related Compounds

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CID 143018600
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CID 91357459
1,5-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 54398064
(2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751840
(3R)-2,3-dimethylbicyclo[3.2.0]heptane
CID 154561320
(2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 97102805
(1R,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane
CID 91107187
methane;3-methylbicyclo[3.1.0]hexane
CID 143309580
(1R,3R,4S)-2,3-dimethylbicyclo[2.2.1]heptane
CID 163414856
(1S,4R)-5-methylbicyclo[2.1.1]hexane
CID 154518789
ethane;3-methylbicyclo[3.1.0]hexane
CID 143195876
(1R,2R)-3-cyclopropyl-2-methylbicyclo[3.1.0]hexane
CID 163692624

Frequently Asked Questions

What is the IUPAC name of (4S)-6,11-dimethyl-9-thiatricyclo[6.2.1.04,10]undecane?
The IUPAC name of (4S)-6,11-dimethyl-9-thiatricyclo[6.2.1.04,10]undecane (CID 167017357) is (4S)-6,11-dimethyl-9-thiatricyclo[6.2.1.04,10]undecane.
What is the SMILES notation for (4S)-6,11-dimethyl-9-thiatricyclo[6.2.1.04,10]undecane?
The canonical SMILES for (4S)-6,11-dimethyl-9-thiatricyclo[6.2.1.04,10]undecane is CC1CC2SC3C(CC[C@H]3C1)C2C.
What is the InChIKey of (4S)-6,11-dimethyl-9-thiatricyclo[6.2.1.04,10]undecane?
The InChIKey is ZWHDXWJXVIFREO-GISRUYEVSA-N. The full InChI is InChI=1S/C12H20S/c1-7-5-9-3-4-10-8(2)11(6-7)13-12(9)10/h7-12H,3-6H2,1-2H3/t7?,8?,9-,10?,11?,12?/m0/s1.
What are the key properties of (4S)-6,11-dimethyl-9-thiatricyclo[6.2.1.04,10]undecane?
(4S)-6,11-dimethyl-9-thiatricyclo[6.2.1.04,10]undecane has a molecular weight of 196.36 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6,11-dimethyl-9-thiatricyclo[6.2.1.04,10]undecane is sourced from PubChem (CID 167017357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).