3-cyclopentyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)azetidine

C17H23NS — CID 112571268

IUPAC3-cyclopentyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)azetidine
SMILESc1ccc2c(c1)SCC2CC1(C2CCCC2)CNC1
InChIInChI=1S/C17H23NS/c1-2-6-14(5-1)17(11-18-12-17)9-13-10-19-16-8-4-3-7-15(13)16/h3-4,7-8,13-14,18H,1-2,5-6,9-12H2
InChIKeyYCADAGBSXSRSCX-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.05
Rot. Bonds3

About 3-cyclopentyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)azetidine

3-cyclopentyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)azetidine (PubChem CID 112571268) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is 3-cyclopentyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)azetidine.

Molecular Properties

Compound Name3-cyclopentyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)azetidine
PubChem CID112571268
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name3-cyclopentyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)azetidine
SMILESc1ccc2c(c1)SCC2CC1(C2CCCC2)CNC1
InChIInChI=1S/C17H23NS/c1-2-6-14(5-1)17(11-18-12-17)9-13-10-19-16-8-4-3-7-15(13)16/h3-4,7-8,13-14,18H,1-2,5-6,9-12H2
InChIKeyYCADAGBSXSRSCX-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 79221230
[(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol
CID 124511720
1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine
CID 79213522
1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
CID 79214574
3-[(3-chloro-1-methylcyclopentyl)methyl]-2,3-dihydro-1-benzothiophene
CID 116540293
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methylcyclopentan-1-amine
CID 79226082
[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]methanamine
CID 79220800
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexan-1-amine
CID 79221501
4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazine-2,6-dione
CID 79314912
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylpyrrolidine
CID 178102510
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79218173
[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)azepan-2-yl]methanol
CID 116637161

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)azetidine?
The IUPAC name of 3-cyclopentyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)azetidine (CID 112571268) is 3-cyclopentyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)azetidine.
What is the SMILES notation for 3-cyclopentyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)azetidine?
The canonical SMILES for 3-cyclopentyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)azetidine is c1ccc2c(c1)SCC2CC1(C2CCCC2)CNC1.
What is the InChIKey of 3-cyclopentyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)azetidine?
The InChIKey is YCADAGBSXSRSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-2-6-14(5-1)17(11-18-12-17)9-13-10-19-16-8-4-3-7-15(13)16/h3-4,7-8,13-14,18H,1-2,5-6,9-12H2.
What are the key properties of 3-cyclopentyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)azetidine?
3-cyclopentyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)azetidine has a molecular weight of 273.44 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)azetidine is sourced from PubChem (CID 112571268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).