2-[(5-bromofuran-2-yl)methyl]thiazetidine 1,1-dioxide

C7H8BrNO3S — CID 131043114

IUPAC2-[(5-bromofuran-2-yl)methyl]thiazetidine 1,1-dioxide
SMILESO=S1(=O)CCN1Cc1ccc(Br)o1
InChIInChI=1S/C7H8BrNO3S/c8-7-2-1-6(12-7)5-9-3-4-13(9,10)11/h1-2H,3-5H2
InChIKeyNGSBTIDKBFZNMS-UHFFFAOYSA-N
MW266.12 g/mol
LogP1.19
Rot. Bonds2

About 2-[(5-bromofuran-2-yl)methyl]thiazetidine 1,1-dioxide

2-[(5-bromofuran-2-yl)methyl]thiazetidine 1,1-dioxide (PubChem CID 131043114) has the molecular formula C7H8BrNO3S and a molecular weight of 266.12 g/mol. Its IUPAC name is 2-[(5-bromofuran-2-yl)methyl]thiazetidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(5-bromofuran-2-yl)methyl]thiazetidine 1,1-dioxide
PubChem CID131043114
Molecular FormulaC7H8BrNO3S
Molecular Weight266.12 g/mol
Exact Mass264.94
IUPAC Name2-[(5-bromofuran-2-yl)methyl]thiazetidine 1,1-dioxide
SMILESO=S1(=O)CCN1Cc1ccc(Br)o1
InChIInChI=1S/C7H8BrNO3S/c8-7-2-1-6(12-7)5-9-3-4-13(9,10)11/h1-2H,3-5H2
InChIKeyNGSBTIDKBFZNMS-UHFFFAOYSA-N
XLogP1.19
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.12
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromofuran-2-yl)methyl]-4-methylpiperazine
CID 2838208
1-[(5-bromofuran-2-yl)methyl]piperazine
CID 43143137
1-[(5-bromofuran-2-yl)methyl]-3-cyclopropylpyrrolidine
CID 130909482
8-[(5-bromofuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane
CID 130847374
(3S)-4-[(5-bromofuran-2-yl)methyl]-1,3-dimethylpiperazin-2-one
CID 99833862
[(3S)-1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]methanol
CID 94407935
(3S)-1-[(5-bromofuran-2-yl)methyl]-3-methylpiperazine
CID 104976695
2-[(2-chloro-1,3-thiazol-5-yl)methyl]thiazetidine 1,1-dioxide
CID 131123308
1-[(5-bromofuran-2-yl)methyl]-4-methylpyrrolidin-3-ol
CID 127008917
methyl (2R)-2-[1-[(5-bromofuran-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetate
CID 99833623
1-[(5-bromofuran-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
CID 113283386
4-[(5-bromofuran-2-yl)methyl]-2-(bromomethyl)morpholine
CID 131047863

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromofuran-2-yl)methyl]thiazetidine 1,1-dioxide?
The IUPAC name of 2-[(5-bromofuran-2-yl)methyl]thiazetidine 1,1-dioxide (CID 131043114) is 2-[(5-bromofuran-2-yl)methyl]thiazetidine 1,1-dioxide.
What is the SMILES notation for 2-[(5-bromofuran-2-yl)methyl]thiazetidine 1,1-dioxide?
The canonical SMILES for 2-[(5-bromofuran-2-yl)methyl]thiazetidine 1,1-dioxide is O=S1(=O)CCN1Cc1ccc(Br)o1.
What is the InChIKey of 2-[(5-bromofuran-2-yl)methyl]thiazetidine 1,1-dioxide?
The InChIKey is NGSBTIDKBFZNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO3S/c8-7-2-1-6(12-7)5-9-3-4-13(9,10)11/h1-2H,3-5H2.
What are the key properties of 2-[(5-bromofuran-2-yl)methyl]thiazetidine 1,1-dioxide?
2-[(5-bromofuran-2-yl)methyl]thiazetidine 1,1-dioxide has a molecular weight of 266.12 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromofuran-2-yl)methyl]thiazetidine 1,1-dioxide is sourced from PubChem (CID 131043114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).