2-[(5-bromothiophen-3-yl)methyl]-1,2-thiazolidine 1,1-dioxide

C8H10BrNO2S2 — CID 47293917

IUPAC2-[(5-bromothiophen-3-yl)methyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1Cc1csc(Br)c1
InChIInChI=1S/C8H10BrNO2S2/c9-8-4-7(6-13-8)5-10-2-1-3-14(10,11)12/h4,6H,1-3,5H2
InChIKeyDFMQBSWBKPDIAO-UHFFFAOYSA-N
MW296.21 g/mol
LogP2.05
Rot. Bonds2

About 2-[(5-bromothiophen-3-yl)methyl]-1,2-thiazolidine 1,1-dioxide

2-[(5-bromothiophen-3-yl)methyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 47293917) has the molecular formula C8H10BrNO2S2 and a molecular weight of 296.21 g/mol. Its IUPAC name is 2-[(5-bromothiophen-3-yl)methyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(5-bromothiophen-3-yl)methyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID47293917
Molecular FormulaC8H10BrNO2S2
Molecular Weight296.21 g/mol
Exact Mass294.93
IUPAC Name2-[(5-bromothiophen-3-yl)methyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1Cc1csc(Br)c1
InChIInChI=1S/C8H10BrNO2S2/c9-8-4-7(6-13-8)5-10-2-1-3-14(10,11)12/h4,6H,1-3,5H2
InChIKeyDFMQBSWBKPDIAO-UHFFFAOYSA-N
XLogP2.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromothiophen-3-yl)methyl]azocane
CID 52623640
4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664522
4-[(1,1-dioxothiazinan-2-yl)methyl]aniline
CID 83824828
2-[(4-chloro-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide
CID 79255737
(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-amine
CID 102977244
3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thiophene-2-carboxylic acid
CID 63639692
1-[(5-bromothiophen-3-yl)methyl]azepane-2-carboxylic acid
CID 64563360
[1-[(5-bromothiophen-3-yl)methyl]azepan-2-yl]methanol
CID 116637681
1-[(5-bromothiophen-3-yl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137235
sodium;3-bromo-5-(chloromethyl)pyridine;2-[(5-bromo-3-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide;hydride;1,2-thiazolidine 1,1-dioxide
CID 158419269
2-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1,2-thiazolidine 1,1-dioxide
CID 114694807
2-(5-bromothiophen-3-yl)acetaldehyde
CID 87296184

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-3-yl)methyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[(5-bromothiophen-3-yl)methyl]-1,2-thiazolidine 1,1-dioxide (CID 47293917) is 2-[(5-bromothiophen-3-yl)methyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(5-bromothiophen-3-yl)methyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(5-bromothiophen-3-yl)methyl]-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1Cc1csc(Br)c1.
What is the InChIKey of 2-[(5-bromothiophen-3-yl)methyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is DFMQBSWBKPDIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S2/c9-8-4-7(6-13-8)5-10-2-1-3-14(10,11)12/h4,6H,1-3,5H2.
What are the key properties of 2-[(5-bromothiophen-3-yl)methyl]-1,2-thiazolidine 1,1-dioxide?
2-[(5-bromothiophen-3-yl)methyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 296.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-3-yl)methyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 47293917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).