2-(1-phenylsulfanylcyclopentyl)oxetane

C14H18OS — CID 134995515

IUPAC2-(1-phenylsulfanylcyclopentyl)oxetane
SMILESc1ccc(SC2(C3CCO3)CCCC2)cc1
InChIInChI=1S/C14H18OS/c1-2-6-12(7-3-1)16-14(9-4-5-10-14)13-8-11-15-13/h1-3,6-7,13H,4-5,8-11H2
InChIKeyRFIHCIZIIDRDIC-UHFFFAOYSA-N
MW234.36 g/mol
LogP3.88
Rot. Bonds3

About 2-(1-phenylsulfanylcyclopentyl)oxetane

2-(1-phenylsulfanylcyclopentyl)oxetane (PubChem CID 134995515) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is 2-(1-phenylsulfanylcyclopentyl)oxetane.

Molecular Properties

Compound Name2-(1-phenylsulfanylcyclopentyl)oxetane
PubChem CID134995515
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name2-(1-phenylsulfanylcyclopentyl)oxetane
SMILESc1ccc(SC2(C3CCO3)CCCC2)cc1
InChIInChI=1S/C14H18OS/c1-2-6-12(7-3-1)16-14(9-4-5-10-14)13-8-11-15-13/h1-3,6-7,13H,4-5,8-11H2
InChIKeyRFIHCIZIIDRDIC-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Phenylsulfanylcyclopentyl)propane-1,3-diol
CID 10956055
(1S,2R)-2-methyl-1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol
CID 14120595
3,5-Dimethyl-2-pentan-2-yl-4-phenylsulfanyl-2,3-dihydrofuran
CID 21581409
2-Methyl-3-phenylsulfanyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran
CID 10538407
2-(1-Phenylsulfanylcyclohexyl)oxolane
CID 11425510
(1S,2S)-2-methyl-1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol
CID 14120594
(2S,3S)-3-methyl-2-(1-phenylsulfanylcyclohexyl)oxetane
CID 15314914
(R)-(2-Methoxyoctyl)(phenyl)sulfane
CID 85090303
(2S,3S)-3-methyl-2-(1-phenylsulfanylcyclopentyl)oxetane
CID 134927612
(2S,3R)-3-methyl-2-(1-phenylsulfanylcyclopentyl)oxetane
CID 134927737
3,3-Dimethyl-2-(1-phenylsulfanylcyclopentyl)oxetane
CID 134992721
(2R,3S)-3,5-dimethyl-2-[(2S)-pentan-2-yl]-4-phenylsulfanyl-2,3-dihydrofuran
CID 639208

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylsulfanylcyclopentyl)oxetane?
The IUPAC name of 2-(1-phenylsulfanylcyclopentyl)oxetane (CID 134995515) is 2-(1-phenylsulfanylcyclopentyl)oxetane.
What is the SMILES notation for 2-(1-phenylsulfanylcyclopentyl)oxetane?
The canonical SMILES for 2-(1-phenylsulfanylcyclopentyl)oxetane is c1ccc(SC2(C3CCO3)CCCC2)cc1.
What is the InChIKey of 2-(1-phenylsulfanylcyclopentyl)oxetane?
The InChIKey is RFIHCIZIIDRDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18OS/c1-2-6-12(7-3-1)16-14(9-4-5-10-14)13-8-11-15-13/h1-3,6-7,13H,4-5,8-11H2.
What are the key properties of 2-(1-phenylsulfanylcyclopentyl)oxetane?
2-(1-phenylsulfanylcyclopentyl)oxetane has a molecular weight of 234.36 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylsulfanylcyclopentyl)oxetane is sourced from PubChem (CID 134995515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).