(2R)-2-[2-[(2R)-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxiran-2-yl]ethyl]-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxirane

C24H30O4S2 — CID 101182808

IUPAC(2R)-2-[2-[(2R)-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxiran-2-yl]ethyl]-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxirane
SMILESCc1ccc(S(=O)[C@@]2(CC[C@]3(S(=O)c4ccc(C)cc4)OC3(C)C)OC2(C)C)cc1
InChIInChI=1S/C24H30O4S2/c1-17-7-11-19(12-8-17)29(25)23(21(3,4)27-23)15-16-24(22(5,6)28-24)30(26)20-13-9-18(2)10-14-20/h7-14H,15-16H2,1-6H3/t23-,24-,29?,30?/m1/s1
InChIKeyINKWVUAFHDIYJO-YTRHQRTHSA-N
MW446.63 g/mol
LogP5.01
Rot. Bonds7

About (2R)-2-[2-[(2R)-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxiran-2-yl]ethyl]-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxirane

(2R)-2-[2-[(2R)-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxiran-2-yl]ethyl]-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxirane (PubChem CID 101182808) has the molecular formula C24H30O4S2 and a molecular weight of 446.63 g/mol. Its IUPAC name is (2R)-2-[2-[(2R)-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxiran-2-yl]ethyl]-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxirane.

Molecular Properties

Compound Name(2R)-2-[2-[(2R)-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxiran-2-yl]ethyl]-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxirane
PubChem CID101182808
Molecular FormulaC24H30O4S2
Molecular Weight446.63 g/mol
Exact Mass446.16
IUPAC Name(2R)-2-[2-[(2R)-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxiran-2-yl]ethyl]-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxirane
SMILESCc1ccc(S(=O)[C@@]2(CC[C@]3(S(=O)c4ccc(C)cc4)OC3(C)C)OC2(C)C)cc1
InChIInChI=1S/C24H30O4S2/c1-17-7-11-19(12-8-17)29(25)23(21(3,4)27-23)15-16-24(22(5,6)28-24)30(26)20-13-9-18(2)10-14-20/h7-14H,15-16H2,1-6H3/t23-,24-,29?,30?/m1/s1
InChIKeyINKWVUAFHDIYJO-YTRHQRTHSA-N
XLogP5.01
TPSA59.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.63
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[6-[3,3-dimethyl-2-(4-methylphenyl)sulfinyloxiran-2-yl]hexyl]-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxirane
CID 12031927
ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
CID 91610736
2-(2-methyl-1,3-dioxolan-2-yl)ethyl 4-methylbenzenesulfinate
CID 143119381
(R)-4-methylbenzenesulfinyl chloride
CID 98048897
1-(difluoromethylsulfinyl)-4-methylbenzene
CID 586872
1-[(R)-ethynylsulfinyl]-4-methylbenzene
CID 11137478
(1R,5S,6R)-5,6-dimethyl-1-(4-methylphenyl)sulfinyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 102256268
(2R)-2-methyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolane
CID 11264913
trimethyl-[2-(4-methylphenyl)sulfinylethyl]silane
CID 23729825
1-[(E)-but-2-enyl]sulfinyl-4-methylbenzene
CID 15250886
4-methylbenzenesulfinic acid;tetrahydrate
CID 155656454
cadmium(2+);bis(4-methylbenzenesulfinate)
CID 139758343

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[(2R)-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxiran-2-yl]ethyl]-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxirane?
The IUPAC name of (2R)-2-[2-[(2R)-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxiran-2-yl]ethyl]-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxirane (CID 101182808) is (2R)-2-[2-[(2R)-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxiran-2-yl]ethyl]-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxirane.
What is the SMILES notation for (2R)-2-[2-[(2R)-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxiran-2-yl]ethyl]-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxirane?
The canonical SMILES for (2R)-2-[2-[(2R)-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxiran-2-yl]ethyl]-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxirane is Cc1ccc(S(=O)[C@@]2(CC[C@]3(S(=O)c4ccc(C)cc4)OC3(C)C)OC2(C)C)cc1.
What is the InChIKey of (2R)-2-[2-[(2R)-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxiran-2-yl]ethyl]-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxirane?
The InChIKey is INKWVUAFHDIYJO-YTRHQRTHSA-N. The full InChI is InChI=1S/C24H30O4S2/c1-17-7-11-19(12-8-17)29(25)23(21(3,4)27-23)15-16-24(22(5,6)28-24)30(26)20-13-9-18(2)10-14-20/h7-14H,15-16H2,1-6H3/t23-,24-,29?,30?/m1/s1.
What are the key properties of (2R)-2-[2-[(2R)-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxiran-2-yl]ethyl]-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxirane?
(2R)-2-[2-[(2R)-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxiran-2-yl]ethyl]-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxirane has a molecular weight of 446.63 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[(2R)-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxiran-2-yl]ethyl]-3,3-dimethyl-2-(4-methylphenyl)sulfinyloxirane is sourced from PubChem (CID 101182808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).