3-(2-methoxy-5-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine

C12H17NO3S2 — CID 122331622

IUPAC3-(2-methoxy-5-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCSC1C
InChIInChI=1S/C12H17NO3S2/c1-9-4-5-11(16-3)12(8-9)18(14,15)13-6-7-17-10(13)2/h4-5,8,10H,6-7H2,1-3H3
InChIKeyOMQQLPAAKIWRFM-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.09
Rot. Bonds3

About 3-(2-methoxy-5-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine

3-(2-methoxy-5-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine (PubChem CID 122331622) has the molecular formula C12H17NO3S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-(2-methoxy-5-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine.

Molecular Properties

Compound Name3-(2-methoxy-5-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine
PubChem CID122331622
Molecular FormulaC12H17NO3S2
Molecular Weight287.41 g/mol
Exact Mass287.06
IUPAC Name3-(2-methoxy-5-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCSC1C
InChIInChI=1S/C12H17NO3S2/c1-9-4-5-11(16-3)12(8-9)18(14,15)13-6-7-17-10(13)2/h4-5,8,10H,6-7H2,1-3H3
InChIKeyOMQQLPAAKIWRFM-UHFFFAOYSA-N
XLogP2.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-1,3-thiazolidine
CID 122331910
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
(1S)-2-(2-methoxy-5-methylphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 8796372
(2S)-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 852148
1-(2-methoxy-5-methylphenyl)sulfonyl-7-methyl-1,4-diazepane
CID 82252096
(1R)-2-(2-methoxy-5-methylphenyl)sulfonyl-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 8799665
1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine
CID 746471
4-(2-methoxy-5-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2933021
(4R)-3-(2-methoxy-5-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 61142127
(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8799587
1-[4-(2-methoxy-5-methylphenyl)sulfonyl-3-methylpiperazin-1-yl]-2-methylpropan-2-ol
CID 126808932
1-(2-methoxy-5-methylphenyl)sulfonyl-5-methyl-1,4-diazepane
CID 82252101

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine?
The IUPAC name of 3-(2-methoxy-5-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine (CID 122331622) is 3-(2-methoxy-5-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine.
What is the SMILES notation for 3-(2-methoxy-5-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine?
The canonical SMILES for 3-(2-methoxy-5-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine is COc1ccc(C)cc1S(=O)(=O)N1CCSC1C.
What is the InChIKey of 3-(2-methoxy-5-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine?
The InChIKey is OMQQLPAAKIWRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S2/c1-9-4-5-11(16-3)12(8-9)18(14,15)13-6-7-17-10(13)2/h4-5,8,10H,6-7H2,1-3H3.
What are the key properties of 3-(2-methoxy-5-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine?
3-(2-methoxy-5-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine has a molecular weight of 287.41 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-methylphenyl)sulfonyl-2-methyl-1,3-thiazolidine is sourced from PubChem (CID 122331622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).