(2S)-2-(3-bromothiophen-2-yl)azetidine

C7H8BrNS — CID 130886552

IUPAC(2S)-2-(3-bromothiophen-2-yl)azetidine
SMILESBrc1ccsc1[C@@H]1CCN1
InChIInChI=1S/C7H8BrNS/c8-5-2-4-10-7(5)6-1-3-9-6/h2,4,6,9H,1,3H2/t6-/m0/s1
InChIKeyOHQKLDURFMYRFT-LURJTMIESA-N
MW218.12 g/mol
LogP2.55
Rot. Bonds1

About (2S)-2-(3-bromothiophen-2-yl)azetidine

(2S)-2-(3-bromothiophen-2-yl)azetidine (PubChem CID 130886552) has the molecular formula C7H8BrNS and a molecular weight of 218.12 g/mol. Its IUPAC name is (2S)-2-(3-bromothiophen-2-yl)azetidine.

Molecular Properties

Compound Name(2S)-2-(3-bromothiophen-2-yl)azetidine
PubChem CID130886552
Molecular FormulaC7H8BrNS
Molecular Weight218.12 g/mol
Exact Mass216.96
IUPAC Name(2S)-2-(3-bromothiophen-2-yl)azetidine
SMILESBrc1ccsc1[C@@H]1CCN1
InChIInChI=1S/C7H8BrNS/c8-5-2-4-10-7(5)6-1-3-9-6/h2,4,6,9H,1,3H2/t6-/m0/s1
InChIKeyOHQKLDURFMYRFT-LURJTMIESA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.12
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-bromothiophen-2-yl)piperazine
CID 130612052
(4S)-4-(3-bromothiophen-2-yl)-1,3-oxazolidin-2-one
CID 130116570
3-(3-bromothiophen-2-yl)piperidine
CID 82664967
4-(3-bromothiophen-2-yl)azepane
CID 83261383
3-bromo-2-(2-bromocyclopropyl)thiophene
CID 130539869
3-(3-bromothiophen-2-yl)-8-azabicyclo[3.2.1]octane
CID 130493813
4-(3-bromothiophen-2-yl)-3-propylpiperidine
CID 115381531
4-(3-bromothiophen-2-yl)-3-(2-chlorophenyl)piperidine
CID 115381544
2-[(2S)-pyrrolidin-2-yl]thiophene-3-carbonitrile
CID 130710414
3-benzyl-4-(3-bromothiophen-2-yl)piperidine
CID 115381528
2-(3-bromo-2,6-difluorophenyl)azetidine
CID 130061365
(2S)-2-(4-bromophenyl)azetidine
CID 91980119

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromothiophen-2-yl)azetidine?
The IUPAC name of (2S)-2-(3-bromothiophen-2-yl)azetidine (CID 130886552) is (2S)-2-(3-bromothiophen-2-yl)azetidine.
What is the SMILES notation for (2S)-2-(3-bromothiophen-2-yl)azetidine?
The canonical SMILES for (2S)-2-(3-bromothiophen-2-yl)azetidine is Brc1ccsc1[C@@H]1CCN1.
What is the InChIKey of (2S)-2-(3-bromothiophen-2-yl)azetidine?
The InChIKey is OHQKLDURFMYRFT-LURJTMIESA-N. The full InChI is InChI=1S/C7H8BrNS/c8-5-2-4-10-7(5)6-1-3-9-6/h2,4,6,9H,1,3H2/t6-/m0/s1.
What are the key properties of (2S)-2-(3-bromothiophen-2-yl)azetidine?
(2S)-2-(3-bromothiophen-2-yl)azetidine has a molecular weight of 218.12 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-bromothiophen-2-yl)azetidine is sourced from PubChem (CID 130886552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).