3,3-dimethyl-2-(1-phenylsulfanylcyclopentyl)oxetane

C16H22OS — CID 134992721

IUPAC3,3-dimethyl-2-(1-phenylsulfanylcyclopentyl)oxetane
SMILESCC1(C)COC1C1(Sc2ccccc2)CCCC1
InChIInChI=1S/C16H22OS/c1-15(2)12-17-14(15)16(10-6-7-11-16)18-13-8-4-3-5-9-13/h3-5,8-9,14H,6-7,10-12H2,1-2H3
InChIKeyVLNRNNULEFBKIP-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.52
Rot. Bonds3

About 3,3-dimethyl-2-(1-phenylsulfanylcyclopentyl)oxetane

3,3-dimethyl-2-(1-phenylsulfanylcyclopentyl)oxetane (PubChem CID 134992721) has the molecular formula C16H22OS and a molecular weight of 262.42 g/mol. Its IUPAC name is 3,3-dimethyl-2-(1-phenylsulfanylcyclopentyl)oxetane.

Molecular Properties

Compound Name3,3-dimethyl-2-(1-phenylsulfanylcyclopentyl)oxetane
PubChem CID134992721
Molecular FormulaC16H22OS
Molecular Weight262.42 g/mol
Exact Mass262.14
IUPAC Name3,3-dimethyl-2-(1-phenylsulfanylcyclopentyl)oxetane
SMILESCC1(C)COC1C1(Sc2ccccc2)CCCC1
InChIInChI=1S/C16H22OS/c1-15(2)12-17-14(15)16(10-6-7-11-16)18-13-8-4-3-5-9-13/h3-5,8-9,14H,6-7,10-12H2,1-2H3
InChIKeyVLNRNNULEFBKIP-UHFFFAOYSA-N
XLogP4.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Dimethyl-1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol
CID 10912935
3,5-Dimethyl-2-pentan-2-yl-4-phenylsulfanyl-2,3-dihydrofuran
CID 21581409
2-(1-Phenylsulfanylcyclohexyl)oxolane
CID 11425510
(2S,3S)-3-methyl-2-(1-phenylsulfanylcyclohexyl)oxetane
CID 15314914
(2S,3S)-3-methyl-2-(1-phenylsulfanylcyclopentyl)oxetane
CID 134927612
(2S,3R)-3-methyl-2-(1-phenylsulfanylcyclopentyl)oxetane
CID 134927737
2-(1-Phenylsulfanylcyclopentyl)oxetane
CID 134995515
3-[Bis(phenylsulfanyl)methyl]-2-pentyloxolane
CID 135021690
(2R,3S)-3,5-dimethyl-2-[(2S)-pentan-2-yl]-4-phenylsulfanyl-2,3-dihydrofuran
CID 639208
(2R,3R,4S)-4-methyl-2-(2-methylpropyl)-3-phenylsulfanyloxolane
CID 10562665
(2S,3R)-4,4-dimethyl-2-(2-methylpropyl)-3-phenylsulfanyloxolane
CID 10611685
(2S,3R,4S)-2,4-dimethyl-2-(3-methylbutyl)-3-phenylsulfanyloxolane
CID 10660269

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(1-phenylsulfanylcyclopentyl)oxetane?
The IUPAC name of 3,3-dimethyl-2-(1-phenylsulfanylcyclopentyl)oxetane (CID 134992721) is 3,3-dimethyl-2-(1-phenylsulfanylcyclopentyl)oxetane.
What is the SMILES notation for 3,3-dimethyl-2-(1-phenylsulfanylcyclopentyl)oxetane?
The canonical SMILES for 3,3-dimethyl-2-(1-phenylsulfanylcyclopentyl)oxetane is CC1(C)COC1C1(Sc2ccccc2)CCCC1.
What is the InChIKey of 3,3-dimethyl-2-(1-phenylsulfanylcyclopentyl)oxetane?
The InChIKey is VLNRNNULEFBKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22OS/c1-15(2)12-17-14(15)16(10-6-7-11-16)18-13-8-4-3-5-9-13/h3-5,8-9,14H,6-7,10-12H2,1-2H3.
What are the key properties of 3,3-dimethyl-2-(1-phenylsulfanylcyclopentyl)oxetane?
3,3-dimethyl-2-(1-phenylsulfanylcyclopentyl)oxetane has a molecular weight of 262.42 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(1-phenylsulfanylcyclopentyl)oxetane is sourced from PubChem (CID 134992721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).