(1S,3S,5S,7S)-4,8-dimethylidene-2-thiatricyclo[3.3.1.13,7]decane

C11H14S — CID 100990147

IUPAC(1S,3S,5S,7S)-4,8-dimethylidene-2-thiatricyclo[3.3.1.13,7]decane
SMILESC=C1[C@H]2C[C@H]3C[C@@H]1S[C@@H](C2)C3=C
InChIInChI=1S/C11H14S/c1-6-8-3-9-5-10(6)12-11(4-8)7(9)2/h8-11H,1-5H2/t8-,9-,10-,11-/m0/s1
InChIKeyYTWVHGATJGAWAV-NAKRPEOUSA-N
MW178.30 g/mol
LogP3.01
Rot. Bonds

About (1S,3S,5S,7S)-4,8-dimethylidene-2-thiatricyclo[3.3.1.13,7]decane

(1S,3S,5S,7S)-4,8-dimethylidene-2-thiatricyclo[3.3.1.13,7]decane (PubChem CID 100990147) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is (1S,3S,5S,7S)-4,8-dimethylidene-2-thiatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name(1S,3S,5S,7S)-4,8-dimethylidene-2-thiatricyclo[3.3.1.13,7]decane
PubChem CID100990147
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Name(1S,3S,5S,7S)-4,8-dimethylidene-2-thiatricyclo[3.3.1.13,7]decane
SMILESC=C1[C@H]2C[C@H]3C[C@@H]1S[C@@H](C2)C3=C
InChIInChI=1S/C11H14S/c1-6-8-3-9-5-10(6)12-11(4-8)7(9)2/h8-11H,1-5H2/t8-,9-,10-,11-/m0/s1
InChIKeyYTWVHGATJGAWAV-NAKRPEOUSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,3S,5S,7S)-4,8-dimethylidene-2-thiatricyclo[3.3.1.13,7]decane 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

4,8-Dibutylidene-2-thiaadamantane
CID 6428490
4,8-Diethylidene-2-thiaadamantane
CID 6428492
4,8-Dipropylidene-2-thiaadamantane
CID 6428495
4-Ethylidene-2-thiaadamantane
CID 6428496
4,8-Dimethylene-2-thiaadamantane
CID 6428497
4-Methylene-2-thiaadamantane
CID 6428498
(4Z,8Z)-4,8-di(ethylidene)-2-thiatricyclo[3.3.1.13,7]decane
CID 20837750
(4Z,8Z)-4,8-di(propylidene)-2-thiatricyclo[3.3.1.13,7]decane
CID 20837751
(4Z)-4-ethylidene-2-thiatricyclo[3.3.1.13,7]decane
CID 20837752
(1R,3S,5S,7R)-4-methylidene-2-thiatricyclo[3.3.1.13,7]decane
CID 100990146
(1R,3R,5R,7R)-4,8-dimethylidene-2-thiatricyclo[3.3.1.13,7]decane
CID 101797788
(1R,3R,5R,7R)-4,8-dimethylidene-2lambda4-thiatricyclo[3.3.1.13,7]decane 2-oxide
CID 101797798

Frequently Asked Questions

What is the IUPAC name of (1S,3S,5S,7S)-4,8-dimethylidene-2-thiatricyclo[3.3.1.13,7]decane?
The IUPAC name of (1S,3S,5S,7S)-4,8-dimethylidene-2-thiatricyclo[3.3.1.13,7]decane (CID 100990147) is (1S,3S,5S,7S)-4,8-dimethylidene-2-thiatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for (1S,3S,5S,7S)-4,8-dimethylidene-2-thiatricyclo[3.3.1.13,7]decane?
The canonical SMILES for (1S,3S,5S,7S)-4,8-dimethylidene-2-thiatricyclo[3.3.1.13,7]decane is C=C1[C@H]2C[C@H]3C[C@@H]1S[C@@H](C2)C3=C.
What is the InChIKey of (1S,3S,5S,7S)-4,8-dimethylidene-2-thiatricyclo[3.3.1.13,7]decane?
The InChIKey is YTWVHGATJGAWAV-NAKRPEOUSA-N. The full InChI is InChI=1S/C11H14S/c1-6-8-3-9-5-10(6)12-11(4-8)7(9)2/h8-11H,1-5H2/t8-,9-,10-,11-/m0/s1.
What are the key properties of (1S,3S,5S,7S)-4,8-dimethylidene-2-thiatricyclo[3.3.1.13,7]decane?
(1S,3S,5S,7S)-4,8-dimethylidene-2-thiatricyclo[3.3.1.13,7]decane has a molecular weight of 178.30 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,5S,7S)-4,8-dimethylidene-2-thiatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 100990147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).