2-(1-adamantyl)-2-methyl-1,3-dithiane

C15H24S2 — CID 101265331

IUPAC2-(1-adamantyl)-2-methyl-1,3-dithiane
SMILESCC1(C23CC4CC(CC(C4)C2)C3)SCCCS1
InChIInChI=1S/C15H24S2/c1-14(16-3-2-4-17-14)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,2-10H2,1H3
InChIKeyIZNJZFAKMJRJFD-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.79
Rot. Bonds1

About 2-(1-adamantyl)-2-methyl-1,3-dithiane

2-(1-adamantyl)-2-methyl-1,3-dithiane (PubChem CID 101265331) has the molecular formula C15H24S2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-(1-adamantyl)-2-methyl-1,3-dithiane.

Molecular Properties

Compound Name2-(1-adamantyl)-2-methyl-1,3-dithiane
PubChem CID101265331
Molecular FormulaC15H24S2
Molecular Weight268.49 g/mol
Exact Mass268.13
IUPAC Name2-(1-adamantyl)-2-methyl-1,3-dithiane
SMILESCC1(C23CC4CC(CC(C4)C2)C3)SCCCS1
InChIInChI=1S/C15H24S2/c1-14(16-3-2-4-17-14)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,2-10H2,1H3
InChIKeyIZNJZFAKMJRJFD-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-Methyloctylsulfanyl)ethyl]adamantane
CID 168266634
Spiro[1,3-dithiane-2,2'-adamantane]
CID 12927839
2-(1-Adamantyl)-1,3-dithiane
CID 11322792
1,5-Dimethyl-2-thiaadamantane
CID 129773363
(1S,2S)-2-(1-adamantylmethyl)-1,3-dithiane 1-oxide
CID 135061438
(1S,2R)-2-(1-adamantylmethyl)-1,3-dithiane 1-oxide
CID 135062113
Methyl 1-adamantanecarbodithioate
CID 13773324
5-(3,3-Dimethylbutyl)-2-thiatricyclo[3.3.1.13,7]decane
CID 59574287
1-(Propylsulfanylmethyl)adamantane
CID 70851634
5-Methylspiro[1,3-dithiane-2,2'-adamantane]
CID 89114753
5-Propyl-2-thiatricyclo[3.3.1.13,7]decane
CID 89563033
1-Ethyl-3-[2-(methylsulfanylmethylsulfanyl)ethyl]adamantane
CID 91169752

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-2-methyl-1,3-dithiane?
The IUPAC name of 2-(1-adamantyl)-2-methyl-1,3-dithiane (CID 101265331) is 2-(1-adamantyl)-2-methyl-1,3-dithiane.
What is the SMILES notation for 2-(1-adamantyl)-2-methyl-1,3-dithiane?
The canonical SMILES for 2-(1-adamantyl)-2-methyl-1,3-dithiane is CC1(C23CC4CC(CC(C4)C2)C3)SCCCS1.
What is the InChIKey of 2-(1-adamantyl)-2-methyl-1,3-dithiane?
The InChIKey is IZNJZFAKMJRJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24S2/c1-14(16-3-2-4-17-14)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,2-10H2,1H3.
What are the key properties of 2-(1-adamantyl)-2-methyl-1,3-dithiane?
2-(1-adamantyl)-2-methyl-1,3-dithiane has a molecular weight of 268.49 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-2-methyl-1,3-dithiane is sourced from PubChem (CID 101265331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).