3-methyl-2-thiophen-2-ylazetidine

C8H11NS — CID 66350314

IUPAC3-methyl-2-thiophen-2-ylazetidine
SMILESCC1CNC1c1cccs1
InChIInChI=1S/C8H11NS/c1-6-5-9-8(6)7-3-2-4-10-7/h2-4,6,8-9H,5H2,1H3
InChIKeyXWNREBOFIZMYBU-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.03
Rot. Bonds1

About 3-methyl-2-thiophen-2-ylazetidine

3-methyl-2-thiophen-2-ylazetidine (PubChem CID 66350314) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 3-methyl-2-thiophen-2-ylazetidine.

Molecular Properties

Compound Name3-methyl-2-thiophen-2-ylazetidine
PubChem CID66350314
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name3-methyl-2-thiophen-2-ylazetidine
SMILESCC1CNC1c1cccs1
InChIInChI=1S/C8H11NS/c1-6-5-9-8(6)7-3-2-4-10-7/h2-4,6,8-9H,5H2,1H3
InChIKeyXWNREBOFIZMYBU-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-thiophen-2-ylaziridine
CID 55263035
2-methyl-5-thiophen-2-ylthiomorpholine
CID 66243083
2-methyl-5-thiophen-2-yl-1,4-oxazepane
CID 83218118
2,5,5-trimethyl-3-thiophen-2-yl-1,4-thiazinane 1,1-dioxide
CID 66229474
2,2-dimethyl-5-thiophen-2-yl-1,3-oxazolidine
CID 19930546
2-thiophen-2-ylpiperidine-3-carboxylic acid
CID 112716942
6-methyl-3-thiophen-2-yl-1,4-thiazepane 1,1-dioxide
CID 66227089
2-(1-benzothiophen-3-yl)-3-methylazetidine
CID 116822222
2-(3-methylazetidin-2-yl)-1H-pyrrole
CID 116822151
(2S)-2-thiophen-2-ylpiperidine
CID 7022116
(3R,4R)-3-hydroxy-4-thiophen-2-ylazetidin-2-one
CID 54262037
3-hydroxy-4-thiophen-2-ylazetidin-2-one
CID 11988427

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-thiophen-2-ylazetidine?
The IUPAC name of 3-methyl-2-thiophen-2-ylazetidine (CID 66350314) is 3-methyl-2-thiophen-2-ylazetidine.
What is the SMILES notation for 3-methyl-2-thiophen-2-ylazetidine?
The canonical SMILES for 3-methyl-2-thiophen-2-ylazetidine is CC1CNC1c1cccs1.
What is the InChIKey of 3-methyl-2-thiophen-2-ylazetidine?
The InChIKey is XWNREBOFIZMYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-6-5-9-8(6)7-3-2-4-10-7/h2-4,6,8-9H,5H2,1H3.
What are the key properties of 3-methyl-2-thiophen-2-ylazetidine?
3-methyl-2-thiophen-2-ylazetidine has a molecular weight of 153.25 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-thiophen-2-ylazetidine is sourced from PubChem (CID 66350314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).