(1S,6R)-4-methyl-5-thiatricyclo[4.4.1.03,8]undecane

C11H18S — CID 146416671

IUPAC(1S,6R)-4-methyl-5-thiatricyclo[4.4.1.03,8]undecane
SMILESCC1S[C@H]2CC3CC[C@@H](CC31)C2
InChIInChI=1S/C11H18S/c1-7-11-5-8-2-3-9(11)6-10(4-8)12-7/h7-11H,2-6H2,1H3/t7?,8-,9?,10-,11?/m1/s1
InChIKeyAAEABYHSRUGAPM-WYOMHHLLSA-N
MW182.33 g/mol
LogP3.32
Rot. Bonds

About (1S,6R)-4-methyl-5-thiatricyclo[4.4.1.03,8]undecane

(1S,6R)-4-methyl-5-thiatricyclo[4.4.1.03,8]undecane (PubChem CID 146416671) has the molecular formula C11H18S and a molecular weight of 182.33 g/mol. Its IUPAC name is (1S,6R)-4-methyl-5-thiatricyclo[4.4.1.03,8]undecane.

Molecular Properties

Compound Name(1S,6R)-4-methyl-5-thiatricyclo[4.4.1.03,8]undecane
PubChem CID146416671
Molecular FormulaC11H18S
Molecular Weight182.33 g/mol
Exact Mass182.11
IUPAC Name(1S,6R)-4-methyl-5-thiatricyclo[4.4.1.03,8]undecane
SMILESCC1S[C@H]2CC3CC[C@@H](CC31)C2
InChIInChI=1S/C11H18S/c1-7-11-5-8-2-3-9(11)6-10(4-8)12-7/h7-11H,2-6H2,1H3/t7?,8-,9?,10-,11?/m1/s1
InChIKeyAAEABYHSRUGAPM-WYOMHHLLSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,6R)-4-methyl-5-thiatricyclo[4.4.1.03,8]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-3-methylbicyclo[2.2.1]heptane
CID 132601108
tetracyclo[6.2.1.02,5.04,6]undecane
CID 143721490
2-(9-tricyclo[4.3.1.03,8]decanyl)propan-2-amine
CID 167045827
(3S)-9-methyl-4-thiatricyclo[6.2.2.13,6]tridecane
CID 146233668
(1R,2R,4S)-2-methylbicyclo[2.2.1]heptane
CID 98050554
2-(2-bicyclo[2.2.1]heptanyl)-2,3,3a,4,5,6,6a,7,8,9,9a,9b-dodecahydro-1H-phenalene
CID 123771301
(1S,2S,4R,6S)-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4,6-dimethylcyclohexan-1-ol
CID 124775126
pentacyclo[9.3.1.15,8.02,14.03,10]hexadecane
CID 163955240
(1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane
CID 58625736
ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane
CID 159184237
propane;tricyclo[4.2.1.03,7]nonane
CID 91449574
trans-(1R,3S)-3-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylcyclopropan-1-amine
CID 178199728

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-4-methyl-5-thiatricyclo[4.4.1.03,8]undecane?
The IUPAC name of (1S,6R)-4-methyl-5-thiatricyclo[4.4.1.03,8]undecane (CID 146416671) is (1S,6R)-4-methyl-5-thiatricyclo[4.4.1.03,8]undecane.
What is the SMILES notation for (1S,6R)-4-methyl-5-thiatricyclo[4.4.1.03,8]undecane?
The canonical SMILES for (1S,6R)-4-methyl-5-thiatricyclo[4.4.1.03,8]undecane is CC1S[C@H]2CC3CC[C@@H](CC31)C2.
What is the InChIKey of (1S,6R)-4-methyl-5-thiatricyclo[4.4.1.03,8]undecane?
The InChIKey is AAEABYHSRUGAPM-WYOMHHLLSA-N. The full InChI is InChI=1S/C11H18S/c1-7-11-5-8-2-3-9(11)6-10(4-8)12-7/h7-11H,2-6H2,1H3/t7?,8-,9?,10-,11?/m1/s1.
What are the key properties of (1S,6R)-4-methyl-5-thiatricyclo[4.4.1.03,8]undecane?
(1S,6R)-4-methyl-5-thiatricyclo[4.4.1.03,8]undecane has a molecular weight of 182.33 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-4-methyl-5-thiatricyclo[4.4.1.03,8]undecane is sourced from PubChem (CID 146416671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).