(1S,4R,5R)-4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane

C10H18S — CID 76956351

IUPAC(1S,4R,5R)-4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane
SMILESC[C@@H]1CC[C@H]2C[C@H]1SC2(C)C
InChIInChI=1S/C10H18S/c1-7-4-5-8-6-9(7)11-10(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8+,9-/m1/s1
InChIKeyFAXNZPOZWCWYBD-HRDYMLBCSA-N
MW170.32 g/mol
LogP3.32
Rot. Bonds

About (1S,4R,5R)-4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane

(1S,4R,5R)-4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane (PubChem CID 76956351) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is (1S,4R,5R)-4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,4R,5R)-4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane
PubChem CID76956351
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name(1S,4R,5R)-4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane
SMILESC[C@@H]1CC[C@H]2C[C@H]1SC2(C)C
InChIInChI=1S/C10H18S/c1-7-4-5-8-6-9(7)11-10(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8+,9-/m1/s1
InChIKeyFAXNZPOZWCWYBD-HRDYMLBCSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,4R,5R)-4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane 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

azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 143055597
(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 6429433
ethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979197
ethane;(2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979252
(8S)-4,7,7,8-tetramethyl-6-thiabicyclo[3.2.1]octane
CID 167165041
(1R,3S,7R)-4-methyltricyclo[5.1.0.01,3]octane
CID 163918664
potassium;2,6,6-trimethylbicyclo[3.1.1]heptane;acetate
CID 175847104
1,2,6,8a-tetramethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 143423059
3-(3,4-dimethylcyclohexyl)thietan-3-ol
CID 131097107
(1S,3R,4R)-2,2,3-trimethylbicyclo[2.2.1]heptane
CID 14744268
2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylbicyclo[3.2.1]octane
CID 19102269
3-(3,4-dimethylcyclohexyl)-N,3-dimethylcyclopentan-1-amine
CID 116539144

Frequently Asked Questions

What is the IUPAC name of (1S,4R,5R)-4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane?
The IUPAC name of (1S,4R,5R)-4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane (CID 76956351) is (1S,4R,5R)-4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,4R,5R)-4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane?
The canonical SMILES for (1S,4R,5R)-4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane is C[C@@H]1CC[C@H]2C[C@H]1SC2(C)C.
What is the InChIKey of (1S,4R,5R)-4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane?
The InChIKey is FAXNZPOZWCWYBD-HRDYMLBCSA-N. The full InChI is InChI=1S/C10H18S/c1-7-4-5-8-6-9(7)11-10(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8+,9-/m1/s1.
What are the key properties of (1S,4R,5R)-4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane?
(1S,4R,5R)-4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane has a molecular weight of 170.32 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,4R,5R)-4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane is sourced from PubChem (CID 76956351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).