(7S,8R)-8-methyl-7-[(R)-(4-methylphenyl)sulfinyl]-1,4-dioxaspiro[4.5]decan-8-ol

C16H22O4S — CID 11758716

IUPAC(7S,8R)-8-methyl-7-[(R)-(4-methylphenyl)sulfinyl]-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCc1ccc([S@](=O)[C@H]2CC3(CC[C@@]2(C)O)OCCO3)cc1
InChIInChI=1S/C16H22O4S/c1-12-3-5-13(6-4-12)21(18)14-11-16(19-9-10-20-16)8-7-15(14,2)17/h3-6,14,17H,7-11H2,1-2H3/t14-,15+,21-/m0/s1
InChIKeyKTWFEHLMGFWWJJ-ZSDSOXJFSA-N
MW310.41 g/mol
LogP2.15
Rot. Bonds2

About (7S,8R)-8-methyl-7-[(R)-(4-methylphenyl)sulfinyl]-1,4-dioxaspiro[4.5]decan-8-ol

(7S,8R)-8-methyl-7-[(R)-(4-methylphenyl)sulfinyl]-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 11758716) has the molecular formula C16H22O4S and a molecular weight of 310.41 g/mol. Its IUPAC name is (7S,8R)-8-methyl-7-[(R)-(4-methylphenyl)sulfinyl]-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name(7S,8R)-8-methyl-7-[(R)-(4-methylphenyl)sulfinyl]-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID11758716
Molecular FormulaC16H22O4S
Molecular Weight310.41 g/mol
Exact Mass310.12
IUPAC Name(7S,8R)-8-methyl-7-[(R)-(4-methylphenyl)sulfinyl]-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCc1ccc([S@](=O)[C@H]2CC3(CC[C@@]2(C)O)OCCO3)cc1
InChIInChI=1S/C16H22O4S/c1-12-3-5-13(6-4-12)21(18)14-11-16(19-9-10-20-16)8-7-15(14,2)17/h3-6,14,17H,7-11H2,1-2H3/t14-,15+,21-/m0/s1
InChIKeyKTWFEHLMGFWWJJ-ZSDSOXJFSA-N
XLogP2.15
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7S,8R)-8-methyl-7-[(R)-(4-methylphenyl)sulfinyl]-1,4-dioxaspiro[4.5]decan-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzenesulfinyl)-1-methylcyclohexan-1-ol
CID 10776334
(1'R,2'S,3'aS,7'aS)-2'-bromo-7'a-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol
CID 163323216
cis-(1S,2S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-[[(R)-(4-methylphenyl)sulfinyl]methyl]cyclohexan-1-ol
CID 11486112
7-(4-bromophenyl)sulfinyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64653643
ethyl (2S)-2-[(1S,2S)-1-hydroxy-2-(4-methylphenyl)sulfinylcyclohexyl]butanoate
CID 23256300
cis-(1S,2S)-1-(benzenesulfonylmethyl)-2-(4-methylphenyl)sulfinylcyclohexan-1-ol
CID 101086540
(1R,3R,5R)-6,6-dimethyl-3-[(R)-(4-methylphenyl)sulfinyl]bicyclo[3.1.1]heptan-2-one
CID 10683890
(2R)-2-methyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolane
CID 11264913
(1S,1aR,1bR,5aS,6aS)-6-methylidene-1-(4-methylphenyl)spiro[1,1a,1b,2,4,5,5a,6a-octahydrocyclopropa[a]indene-3,2'-1,3-dioxolane]
CID 134953143
cis-tert-butyl (1R,2S)-1-dimethoxyphosphoryl-2-(4-methylphenyl)sulfinylcyclopropane-1-carboxylate
CID 102525678
(3'aR,7'aR)-3'a-methylspiro[1,3-dioxolane-2,6'-4,5,7,7a-tetrahydroindene]-1'-one
CID 15896740
2-(2-methyl-1,3-dioxolan-2-yl)ethyl 4-methylbenzenesulfinate
CID 143119381

Frequently Asked Questions

What is the IUPAC name of (7S,8R)-8-methyl-7-[(R)-(4-methylphenyl)sulfinyl]-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of (7S,8R)-8-methyl-7-[(R)-(4-methylphenyl)sulfinyl]-1,4-dioxaspiro[4.5]decan-8-ol (CID 11758716) is (7S,8R)-8-methyl-7-[(R)-(4-methylphenyl)sulfinyl]-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for (7S,8R)-8-methyl-7-[(R)-(4-methylphenyl)sulfinyl]-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for (7S,8R)-8-methyl-7-[(R)-(4-methylphenyl)sulfinyl]-1,4-dioxaspiro[4.5]decan-8-ol is Cc1ccc([S@](=O)[C@H]2CC3(CC[C@@]2(C)O)OCCO3)cc1.
What is the InChIKey of (7S,8R)-8-methyl-7-[(R)-(4-methylphenyl)sulfinyl]-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is KTWFEHLMGFWWJJ-ZSDSOXJFSA-N. The full InChI is InChI=1S/C16H22O4S/c1-12-3-5-13(6-4-12)21(18)14-11-16(19-9-10-20-16)8-7-15(14,2)17/h3-6,14,17H,7-11H2,1-2H3/t14-,15+,21-/m0/s1.
What are the key properties of (7S,8R)-8-methyl-7-[(R)-(4-methylphenyl)sulfinyl]-1,4-dioxaspiro[4.5]decan-8-ol?
(7S,8R)-8-methyl-7-[(R)-(4-methylphenyl)sulfinyl]-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 310.41 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8R)-8-methyl-7-[(R)-(4-methylphenyl)sulfinyl]-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 11758716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).