2-(1-adamantyl)-5-methylthiolane 1-oxide

C15H24OS — CID 156612539

IUPAC2-(1-adamantyl)-5-methylthiolane 1-oxide
SMILESCC1CCC(C23CC4CC(CC(C4)C2)C3)S1=O
InChIInChI=1S/C15H24OS/c1-10-2-3-14(17(10)16)15-7-11-4-12(8-15)6-13(5-11)9-15/h10-14H,2-9H2,1H3
InChIKeyLXCSPFJALCHRFB-UHFFFAOYSA-N
MW252.42 g/mol
LogP3.50
Rot. Bonds1

About 2-(1-adamantyl)-5-methylthiolane 1-oxide

2-(1-adamantyl)-5-methylthiolane 1-oxide (PubChem CID 156612539) has the molecular formula C15H24OS and a molecular weight of 252.42 g/mol. Its IUPAC name is 2-(1-adamantyl)-5-methylthiolane 1-oxide.

Molecular Properties

Compound Name2-(1-adamantyl)-5-methylthiolane 1-oxide
PubChem CID156612539
Molecular FormulaC15H24OS
Molecular Weight252.42 g/mol
Exact Mass252.15
IUPAC Name2-(1-adamantyl)-5-methylthiolane 1-oxide
SMILESCC1CCC(C23CC4CC(CC(C4)C2)C3)S1=O
InChIInChI=1S/C15H24OS/c1-10-2-3-14(17(10)16)15-7-11-4-12(8-15)6-13(5-11)9-15/h10-14H,2-9H2,1H3
InChIKeyLXCSPFJALCHRFB-UHFFFAOYSA-N
XLogP3.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.42
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Methyl 2-(1-adamantylsulfinyl)ethanedithioate
CID 100979297
1-Methylsulfinyladamantane
CID 58341636
2-(Methylsulfinyl)adamantane
CID 14433882
1-Butylsulfinyladamantane
CID 85861930
(3R,5S)-1-butylsulfinyl-3,5-dimethyladamantane
CID 134927825
(1S,2S)-2-(1-adamantylmethyl)-1,3-dithiane 1-oxide
CID 135061438
(1S,2R)-2-(1-adamantylmethyl)-1,3-dithiane 1-oxide
CID 135062113
1-(2-Ethylsulfonyl-2-fluoropropyl)adamantane
CID 161159173
1-(Methylsulfonylmethyl)adamantane
CID 58801107
1-(2-Methylpropylsulfonylmethyl)adamantane
CID 58815179
1-(Propylsulfanylmethyl)adamantane
CID 70851634
1-Tert-butylsulfinyladamantane
CID 117624041

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-5-methylthiolane 1-oxide?
The IUPAC name of 2-(1-adamantyl)-5-methylthiolane 1-oxide (CID 156612539) is 2-(1-adamantyl)-5-methylthiolane 1-oxide.
What is the SMILES notation for 2-(1-adamantyl)-5-methylthiolane 1-oxide?
The canonical SMILES for 2-(1-adamantyl)-5-methylthiolane 1-oxide is CC1CCC(C23CC4CC(CC(C4)C2)C3)S1=O.
What is the InChIKey of 2-(1-adamantyl)-5-methylthiolane 1-oxide?
The InChIKey is LXCSPFJALCHRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24OS/c1-10-2-3-14(17(10)16)15-7-11-4-12(8-15)6-13(5-11)9-15/h10-14H,2-9H2,1H3.
What are the key properties of 2-(1-adamantyl)-5-methylthiolane 1-oxide?
2-(1-adamantyl)-5-methylthiolane 1-oxide has a molecular weight of 252.42 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-5-methylthiolane 1-oxide is sourced from PubChem (CID 156612539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).