(5S)-8-(4-methylphenyl)sulfinyl-1,6-dioxaspiro[4.5]dec-7-ene

C15H18O3S — CID 10901928

IUPAC(5S)-8-(4-methylphenyl)sulfinyl-1,6-dioxaspiro[4.5]dec-7-ene
SMILESCc1ccc(S(=O)C2=CO[C@@]3(CCCO3)CC2)cc1
InChIInChI=1S/C15H18O3S/c1-12-3-5-13(6-4-12)19(16)14-7-9-15(18-11-14)8-2-10-17-15/h3-6,11H,2,7-10H2,1H3/t15-,19?/m0/s1
InChIKeyKXJAUXUDJGBQNJ-FUKCDUGKSA-N
MW278.37 g/mol
LogP3.26
Rot. Bonds2

About (5S)-8-(4-methylphenyl)sulfinyl-1,6-dioxaspiro[4.5]dec-7-ene

(5S)-8-(4-methylphenyl)sulfinyl-1,6-dioxaspiro[4.5]dec-7-ene (PubChem CID 10901928) has the molecular formula C15H18O3S and a molecular weight of 278.37 g/mol. Its IUPAC name is (5S)-8-(4-methylphenyl)sulfinyl-1,6-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name(5S)-8-(4-methylphenyl)sulfinyl-1,6-dioxaspiro[4.5]dec-7-ene
PubChem CID10901928
Molecular FormulaC15H18O3S
Molecular Weight278.37 g/mol
Exact Mass278.10
IUPAC Name(5S)-8-(4-methylphenyl)sulfinyl-1,6-dioxaspiro[4.5]dec-7-ene
SMILESCc1ccc(S(=O)C2=CO[C@@]3(CCCO3)CC2)cc1
InChIInChI=1S/C15H18O3S/c1-12-3-5-13(6-4-12)19(16)14-7-9-15(18-11-14)8-2-10-17-15/h3-6,11H,2,7-10H2,1H3/t15-,19?/m0/s1
InChIKeyKXJAUXUDJGBQNJ-FUKCDUGKSA-N
XLogP3.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolan-2-ol
CID 15473194
5-(benzenesulfonyl)-6-methyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran
CID 72741045
2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxan-2-ol
CID 135060236
(2S)-2-ethoxy-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran
CID 386663
2-Methyl-3-((4-methylphenyl)sulfinyl)-1,7-dioxaspiro[5.5]undec-2-ene
CID 386664
6-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-pyran
CID 11043241
8-[Chloro-(4-methylphenyl)sulfinylmethylidene]-1,4-dioxaspiro[4.5]decane
CID 11131224
2-[4-[(S)-(4-methylphenyl)sulfinyl]but-3-ynyl]-2-propyl-1,3-dioxolane
CID 11347324
(4R,6R)-4-(benzenesulfinyl)-6-methyl-1,10-dioxaspiro[4.5]decane
CID 13924998
(3aS,7aR)-5-(benzenesulfonyl)-6-methyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran
CID 14913024
(4R,5S)-4-ethyl-2,2-dimethyl-5-[(4-methylphenyl)sulfinylmethyl]-1,3-dioxolane
CID 101757726
(2R,6R)-2-methyl-6-[[(S)-(4-methylphenyl)sulfinyl]methyl]oxane
CID 134892782

Frequently Asked Questions

What is the IUPAC name of (5S)-8-(4-methylphenyl)sulfinyl-1,6-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of (5S)-8-(4-methylphenyl)sulfinyl-1,6-dioxaspiro[4.5]dec-7-ene (CID 10901928) is (5S)-8-(4-methylphenyl)sulfinyl-1,6-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for (5S)-8-(4-methylphenyl)sulfinyl-1,6-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for (5S)-8-(4-methylphenyl)sulfinyl-1,6-dioxaspiro[4.5]dec-7-ene is Cc1ccc(S(=O)C2=CO[C@@]3(CCCO3)CC2)cc1.
What is the InChIKey of (5S)-8-(4-methylphenyl)sulfinyl-1,6-dioxaspiro[4.5]dec-7-ene?
The InChIKey is KXJAUXUDJGBQNJ-FUKCDUGKSA-N. The full InChI is InChI=1S/C15H18O3S/c1-12-3-5-13(6-4-12)19(16)14-7-9-15(18-11-14)8-2-10-17-15/h3-6,11H,2,7-10H2,1H3/t15-,19?/m0/s1.
What are the key properties of (5S)-8-(4-methylphenyl)sulfinyl-1,6-dioxaspiro[4.5]dec-7-ene?
(5S)-8-(4-methylphenyl)sulfinyl-1,6-dioxaspiro[4.5]dec-7-ene has a molecular weight of 278.37 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-8-(4-methylphenyl)sulfinyl-1,6-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 10901928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).