(2S)-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine

C11H15NO2S2 — CID 852148

IUPAC(2S)-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
SMILESCc1ccc(S(=O)(=O)N2CCS[C@H]2C)cc1
InChIInChI=1S/C11H15NO2S2/c1-9-3-5-11(6-4-9)16(13,14)12-7-8-15-10(12)2/h3-6,10H,7-8H2,1-2H3/t10-/m0/s1
InChIKeyJKXSNTDYXVPUIL-JTQLQIEISA-N
MW257.38 g/mol
LogP2.08
Rot. Bonds2

About (2S)-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine

(2S)-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 852148) has the molecular formula C11H15NO2S2 and a molecular weight of 257.38 g/mol. Its IUPAC name is (2S)-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name(2S)-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
PubChem CID852148
Molecular FormulaC11H15NO2S2
Molecular Weight257.38 g/mol
Exact Mass257.05
IUPAC Name(2S)-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
SMILESCc1ccc(S(=O)(=O)N2CCS[C@H]2C)cc1
InChIInChI=1S/C11H15NO2S2/c1-9-3-5-11(6-4-9)16(13,14)12-7-8-15-10(12)2/h3-6,10H,7-8H2,1-2H3/t10-/m0/s1
InChIKeyJKXSNTDYXVPUIL-JTQLQIEISA-N
XLogP2.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1041495
2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 2847064
2,3-dimethyl-1,3-thiazolidine;4-methylbenzenesulfonic acid
CID 88666389
3-(2-methoxy-5-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine
CID 122331622
2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 2858670
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-methyl-1,3-thiazolidine
CID 122331860
2,5-bis-(4-methylphenyl)sulfonyl-2,5-diazabicyclo[4.1.0]heptane
CID 13108226
(2S)-2-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1111409
N-[4-[[(2R)-2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
CID 1084396
ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 156877690
(4aS,8aS)-5,8-bis-(4-methylphenyl)sulfonyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b]pyrazine
CID 6979389
3-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-ol
CID 11777132

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of (2S)-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine (CID 852148) is (2S)-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for (2S)-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for (2S)-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine is Cc1ccc(S(=O)(=O)N2CCS[C@H]2C)cc1.
What is the InChIKey of (2S)-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is JKXSNTDYXVPUIL-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO2S2/c1-9-3-5-11(6-4-9)16(13,14)12-7-8-15-10(12)2/h3-6,10H,7-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine?
(2S)-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 257.38 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 852148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).