2-(1-benzothiophen-3-yl)-3-methylazetidine

C12H13NS — CID 116822222

IUPAC2-(1-benzothiophen-3-yl)-3-methylazetidine
SMILESCC1CNC1c1csc2ccccc12
InChIInChI=1S/C12H13NS/c1-8-6-13-12(8)10-7-14-11-5-3-2-4-9(10)11/h2-5,7-8,12-13H,6H2,1H3
InChIKeyKSECRCPLIVHOJO-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.18
Rot. Bonds1

About 2-(1-benzothiophen-3-yl)-3-methylazetidine

2-(1-benzothiophen-3-yl)-3-methylazetidine (PubChem CID 116822222) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-3-methylazetidine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-3-methylazetidine
PubChem CID116822222
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name2-(1-benzothiophen-3-yl)-3-methylazetidine
SMILESCC1CNC1c1csc2ccccc12
InChIInChI=1S/C12H13NS/c1-8-6-13-12(8)10-7-14-11-5-3-2-4-9(10)11/h2-5,7-8,12-13H,6H2,1H3
InChIKeyKSECRCPLIVHOJO-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-benzothiophen-3-yl)-3-methylpiperidine
CID 79320889
5-(1-benzothiophen-3-yl)-1-methylimidazolidin-2-one
CID 116855972
2-(1-benzothiophen-3-yl)piperidine
CID 4538625
(2S)-2-(1-benzothiophen-3-yl)piperidine;hydrochloride
CID 171194953
3-methyl-2-thiophen-2-ylazetidine
CID 66350314
2-(1-benzothiophen-3-yl)oxolan-3-amine
CID 79364675
2-(1-benzothiophen-3-yl)-1-(2-methylcyclopropyl)ethanamine
CID 65420177
1-benzothiophen-3-yl-(2-methylcyclopropyl)methanamine
CID 43166668
3-methyl-1-benzothiophene;zinc
CID 70563074
1-(1-benzothiophen-3-ylmethyl)-2-butan-2-yl-5-methylpiperazine
CID 64844515
(1R)-1-(1-benzothiophen-3-yl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine
CID 98219426
1-(azepan-2-yl)-2-(1-benzothiophen-3-yl)ethanone
CID 116582553

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-3-methylazetidine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-3-methylazetidine (CID 116822222) is 2-(1-benzothiophen-3-yl)-3-methylazetidine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-3-methylazetidine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-3-methylazetidine is CC1CNC1c1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-3-methylazetidine?
The InChIKey is KSECRCPLIVHOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-8-6-13-12(8)10-7-14-11-5-3-2-4-9(10)11/h2-5,7-8,12-13H,6H2,1H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-3-methylazetidine?
2-(1-benzothiophen-3-yl)-3-methylazetidine has a molecular weight of 203.31 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-3-methylazetidine is sourced from PubChem (CID 116822222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).