(2S,3S)-3-methyl-2-(1-phenylsulfanylcyclohexyl)oxetane

C16H22OS — CID 15314914

IUPAC(2S,3S)-3-methyl-2-(1-phenylsulfanylcyclohexyl)oxetane
SMILESC[C@H]1CO[C@@H]1C1(Sc2ccccc2)CCCCC1
InChIInChI=1S/C16H22OS/c1-13-12-17-15(13)16(10-6-3-7-11-16)18-14-8-4-2-5-9-14/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3/t13-,15-/m0/s1
InChIKeyFVAZBCSYHVUYQA-ZFWWWQNUSA-N
MW262.42 g/mol
LogP4.52
Rot. Bonds3

About (2S,3S)-3-methyl-2-(1-phenylsulfanylcyclohexyl)oxetane

(2S,3S)-3-methyl-2-(1-phenylsulfanylcyclohexyl)oxetane (PubChem CID 15314914) has the molecular formula C16H22OS and a molecular weight of 262.42 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-(1-phenylsulfanylcyclohexyl)oxetane.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-(1-phenylsulfanylcyclohexyl)oxetane
PubChem CID15314914
Molecular FormulaC16H22OS
Molecular Weight262.42 g/mol
Exact Mass262.14
IUPAC Name(2S,3S)-3-methyl-2-(1-phenylsulfanylcyclohexyl)oxetane
SMILESC[C@H]1CO[C@@H]1C1(Sc2ccccc2)CCCCC1
InChIInChI=1S/C16H22OS/c1-13-12-17-15(13)16(10-6-3-7-11-16)18-14-8-4-2-5-9-14/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3/t13-,15-/m0/s1
InChIKeyFVAZBCSYHVUYQA-ZFWWWQNUSA-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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-(1-phenylsulfanylcyclohexyl)oxetane?
The IUPAC name of (2S,3S)-3-methyl-2-(1-phenylsulfanylcyclohexyl)oxetane (CID 15314914) is (2S,3S)-3-methyl-2-(1-phenylsulfanylcyclohexyl)oxetane.
What is the SMILES notation for (2S,3S)-3-methyl-2-(1-phenylsulfanylcyclohexyl)oxetane?
The canonical SMILES for (2S,3S)-3-methyl-2-(1-phenylsulfanylcyclohexyl)oxetane is C[C@H]1CO[C@@H]1C1(Sc2ccccc2)CCCCC1.
What is the InChIKey of (2S,3S)-3-methyl-2-(1-phenylsulfanylcyclohexyl)oxetane?
The InChIKey is FVAZBCSYHVUYQA-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H22OS/c1-13-12-17-15(13)16(10-6-3-7-11-16)18-14-8-4-2-5-9-14/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3/t13-,15-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-(1-phenylsulfanylcyclohexyl)oxetane?
(2S,3S)-3-methyl-2-(1-phenylsulfanylcyclohexyl)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 (2S,3S)-3-methyl-2-(1-phenylsulfanylcyclohexyl)oxetane is sourced from PubChem (CID 15314914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).