2-(2-adamantyltrisulfanyl)adamantane

C20H30S3 — CID 14367455

IUPAC2-(2-adamantyltrisulfanyl)adamantane
SMILESC1C2CC3CC1CC(C2)C3SSSC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H30S3/c1-11-3-15-5-12(1)6-16(4-11)19(15)21-23-22-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2
InChIKeyVWPLFEFOFXXNBT-UHFFFAOYSA-N
MW366.66 g/mol
LogP6.67
Rot. Bonds4

About 2-(2-adamantyltrisulfanyl)adamantane

2-(2-adamantyltrisulfanyl)adamantane (PubChem CID 14367455) has the molecular formula C20H30S3 and a molecular weight of 366.66 g/mol. Its IUPAC name is 2-(2-adamantyltrisulfanyl)adamantane.

Molecular Properties

Compound Name2-(2-adamantyltrisulfanyl)adamantane
PubChem CID14367455
Molecular FormulaC20H30S3
Molecular Weight366.66 g/mol
Exact Mass366.15
IUPAC Name2-(2-adamantyltrisulfanyl)adamantane
SMILESC1C2CC3CC1CC(C2)C3SSSC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H30S3/c1-11-3-15-5-12(1)6-16(4-11)19(15)21-23-22-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2
InChIKeyVWPLFEFOFXXNBT-UHFFFAOYSA-N
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.66
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-adamantyltrisulfanyl)adamantane 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

Disulfide, bis(tricyclo(3.3.1.13,7)dec-1-yl)
CID 141935
Adamantane-2-thiol
CID 584813
Dithio adamantane
CID 129808398
Di(2-adamantyl) disulfide
CID 13117838
2,4,6,8-Tetrathioadamantane
CID 129808265
4,6,8-Tetrathio-adamantane
CID 129819211
2,10-Bis-spiro(2-adamantiliden)-1,3,6,9,11,14-hexathiacyclohexadecane
CID 139058872
2-(2-Adamantylsulfanyloxysulfanyl)adamantane
CID 19834504
1-[(1-Adamantylmethyldisulfanyl)methyl]adamantane
CID 101217599
2-[(2-Adamantylmethyldisulfanyl)methyl]adamantane
CID 118588342
2-(Disulfanyl)adamantane
CID 148597481
2-(2-Adamantylsulfanyl)adamantane
CID 14367454

Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantyltrisulfanyl)adamantane?
The IUPAC name of 2-(2-adamantyltrisulfanyl)adamantane (CID 14367455) is 2-(2-adamantyltrisulfanyl)adamantane.
What is the SMILES notation for 2-(2-adamantyltrisulfanyl)adamantane?
The canonical SMILES for 2-(2-adamantyltrisulfanyl)adamantane is C1C2CC3CC1CC(C2)C3SSSC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(2-adamantyltrisulfanyl)adamantane?
The InChIKey is VWPLFEFOFXXNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30S3/c1-11-3-15-5-12(1)6-16(4-11)19(15)21-23-22-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2.
What are the key properties of 2-(2-adamantyltrisulfanyl)adamantane?
2-(2-adamantyltrisulfanyl)adamantane has a molecular weight of 366.66 g/mol, XLogP of 6.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantyltrisulfanyl)adamantane is sourced from PubChem (CID 14367455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).