2-(4-bromophenyl)-3-methylsulfonyl-1,3-thiazolidine

C10H12BrNO2S2 — CID 5199339

IUPAC2-(4-bromophenyl)-3-methylsulfonyl-1,3-thiazolidine
SMILESCS(=O)(=O)N1CCSC1c1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO2S2/c1-16(13,14)12-6-7-15-10(12)8-2-4-9(11)5-3-8/h2-5,10H,6-7H2,1H3
InChIKeyJOABKIWMBHCLOM-UHFFFAOYSA-N
MW322.25 g/mol
LogP2.46
Rot. Bonds2

About 2-(4-bromophenyl)-3-methylsulfonyl-1,3-thiazolidine

2-(4-bromophenyl)-3-methylsulfonyl-1,3-thiazolidine (PubChem CID 5199339) has the molecular formula C10H12BrNO2S2 and a molecular weight of 322.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-methylsulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-methylsulfonyl-1,3-thiazolidine
PubChem CID5199339
Molecular FormulaC10H12BrNO2S2
Molecular Weight322.25 g/mol
Exact Mass320.95
IUPAC Name2-(4-bromophenyl)-3-methylsulfonyl-1,3-thiazolidine
SMILESCS(=O)(=O)N1CCSC1c1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO2S2/c1-16(13,14)12-6-7-15-10(12)8-2-4-9(11)5-3-8/h2-5,10H,6-7H2,1H3
InChIKeyJOABKIWMBHCLOM-UHFFFAOYSA-N
XLogP2.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(p-Bromophenyl)thiazolidine
CID 2771064
1-{2-[(4-Bromobenzyl}sulfonyl]ethyl}pyrrolidine
CID 73053505
1-[2-[(4-Bromophenyl)methylsulfonyl]ethyl]-1-methylpyrrolidin-1-ium iodide
CID 73053506
2-[(4-Bromophenyl)methyl]-1,5,2-dithiazepane 1,1-dioxide
CID 53245344
2-(4-Bromobenzyl)isothiazolidine 1,1-dioxide
CID 47176171
4-(4-Bromo-benzyl)-thiomorpholine 1,1-dioxide
CID 52325468
N-[(4-bromophenyl)methyl]-N-methylmethanesulfonamide
CID 60681431
1-[3-[(4-Bromophenyl)methylsulfonyl]propyl]pyrrolidine
CID 76321250
1-[3-[(4-Bromophenyl)methylsulfonyl]propyl]-1-methylpyrrolidin-1-ium iodide
CID 76324868
N-[(4-bromophenyl)methyl]-2-pyrrolidin-1-ylethanesulfonamide
CID 76328427
N-[(4-bromophenyl)methyl]-N-prop-2-ynylmethanesulfonamide
CID 155560227
2-(4-Bromophenyl)-3-(4-methylbenzenesulfonyl)-1,3-thiazolidine
CID 2858675

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-methylsulfonyl-1,3-thiazolidine?
The IUPAC name of 2-(4-bromophenyl)-3-methylsulfonyl-1,3-thiazolidine (CID 5199339) is 2-(4-bromophenyl)-3-methylsulfonyl-1,3-thiazolidine.
What is the SMILES notation for 2-(4-bromophenyl)-3-methylsulfonyl-1,3-thiazolidine?
The canonical SMILES for 2-(4-bromophenyl)-3-methylsulfonyl-1,3-thiazolidine is CS(=O)(=O)N1CCSC1c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-methylsulfonyl-1,3-thiazolidine?
The InChIKey is JOABKIWMBHCLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S2/c1-16(13,14)12-6-7-15-10(12)8-2-4-9(11)5-3-8/h2-5,10H,6-7H2,1H3.
What are the key properties of 2-(4-bromophenyl)-3-methylsulfonyl-1,3-thiazolidine?
2-(4-bromophenyl)-3-methylsulfonyl-1,3-thiazolidine has a molecular weight of 322.25 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-methylsulfonyl-1,3-thiazolidine is sourced from PubChem (CID 5199339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).