2-(2-adamantylsulfanyl)adamantane

C20H30S — CID 14367454

IUPAC2-(2-adamantylsulfanyl)adamantane
SMILESC1C2CC3CC1CC(C2)C3SC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H30S/c1-11-3-15-5-12(1)6-16(4-11)19(15)21-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2
InChIKeyYYCRDSJPYVFRLJ-UHFFFAOYSA-N
MW302.53 g/mol
LogP5.37
Rot. Bonds2

About 2-(2-adamantylsulfanyl)adamantane

2-(2-adamantylsulfanyl)adamantane (PubChem CID 14367454) has the molecular formula C20H30S and a molecular weight of 302.53 g/mol. Its IUPAC name is 2-(2-adamantylsulfanyl)adamantane.

Molecular Properties

Compound Name2-(2-adamantylsulfanyl)adamantane
PubChem CID14367454
Molecular FormulaC20H30S
Molecular Weight302.53 g/mol
Exact Mass302.21
IUPAC Name2-(2-adamantylsulfanyl)adamantane
SMILESC1C2CC3CC1CC(C2)C3SC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H30S/c1-11-3-15-5-12(1)6-16(4-11)19(15)21-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2
InChIKeyYYCRDSJPYVFRLJ-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.53
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Adamantane, 2,2-ethylenedithio-
CID 607837
2-(Methylthio)adamantane
CID 12386069
Dispiro[adamantane-2,2'-[1,3]dithiolane-4',2''-adamantane]
CID 1735978
Dispiro[1,3-dithietane-2,2':4,2''-diadamantane]
CID 5232433
Adamantylsulfide
CID 10913699
Spiro[1,3-dithiane-2,2'-adamantane]
CID 12927839
Dispiro[adamantane-2,3'-[1,2,4]-trithiolane-5',2''-adamantane]
CID 1719069
Trispiro[1,3,5-trithiane-2,2':4,2'':6,2'''-triadamantane]
CID 5232434
CID 12316695
CID 12316695
Di(2-adamantyl) disulfide
CID 13117838
2,10-Bis-spiro(2-adamantiliden)-1,3,6,9,11,14-hexathiacyclohexadecane
CID 139058872
2-Butylsulfanyladamantane
CID 101801095

Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantylsulfanyl)adamantane?
The IUPAC name of 2-(2-adamantylsulfanyl)adamantane (CID 14367454) is 2-(2-adamantylsulfanyl)adamantane.
What is the SMILES notation for 2-(2-adamantylsulfanyl)adamantane?
The canonical SMILES for 2-(2-adamantylsulfanyl)adamantane is C1C2CC3CC1CC(C2)C3SC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(2-adamantylsulfanyl)adamantane?
The InChIKey is YYCRDSJPYVFRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30S/c1-11-3-15-5-12(1)6-16(4-11)19(15)21-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2.
What are the key properties of 2-(2-adamantylsulfanyl)adamantane?
2-(2-adamantylsulfanyl)adamantane has a molecular weight of 302.53 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantylsulfanyl)adamantane is sourced from PubChem (CID 14367454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).