3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-propan-2-ylazetidine

C15H21NS — CID 79452464

IUPAC3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-propan-2-ylazetidine
SMILESCC(C)C1(CC2Cc3ccccc3S2)CNC1
InChIInChI=1S/C15H21NS/c1-11(2)15(9-16-10-15)8-13-7-12-5-3-4-6-14(12)17-13/h3-6,11,13,16H,7-10H2,1-2H3
InChIKeyFJYDKXQQXZLVFL-UHFFFAOYSA-N
MW247.41 g/mol
LogP3.34
Rot. Bonds3

About 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-propan-2-ylazetidine

3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-propan-2-ylazetidine (PubChem CID 79452464) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-propan-2-ylazetidine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-propan-2-ylazetidine
PubChem CID79452464
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-propan-2-ylazetidine
SMILESCC(C)C1(CC2Cc3ccccc3S2)CNC1
InChIInChI=1S/C15H21NS/c1-11(2)15(9-16-10-15)8-13-7-12-5-3-4-6-14(12)17-13/h3-6,11,13,16H,7-10H2,1-2H3
InChIKeyFJYDKXQQXZLVFL-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azetidine
CID 79460685
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopropan-1-amine
CID 79223158
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
2-(propan-2-yloxymethyl)-2,3-dihydro-1-benzothiophene
CID 79404000
2-(4-bromo-2-methylpentyl)-2,3-dihydro-1-benzothiophene
CID 79224341
2-(2-methylpropylsulfanylmethyl)-2,3-dihydro-1-benzothiophene
CID 79326208
2-(3-bromo-2-methylbutyl)-2,3-dihydro-1-benzothiophene
CID 79228756
2-(3-methylbutan-2-ylsulfanylmethyl)-2,3-dihydro-1-benzothiophene
CID 107754265
N-[3-(2,3-dihydro-1-benzothiophen-2-yl)-2-methylpropyl]cyclopropanamine
CID 79229094
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,5,5-tetramethylpiperazine
CID 79223937
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpentan-2-amine
CID 79228415
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-propan-2-ylpropane-1,3-diol
CID 79450376

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-propan-2-ylazetidine?
The IUPAC name of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-propan-2-ylazetidine (CID 79452464) is 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-propan-2-ylazetidine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-propan-2-ylazetidine?
The canonical SMILES for 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-propan-2-ylazetidine is CC(C)C1(CC2Cc3ccccc3S2)CNC1.
What is the InChIKey of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-propan-2-ylazetidine?
The InChIKey is FJYDKXQQXZLVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-11(2)15(9-16-10-15)8-13-7-12-5-3-4-6-14(12)17-13/h3-6,11,13,16H,7-10H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-propan-2-ylazetidine?
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-propan-2-ylazetidine has a molecular weight of 247.41 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-propan-2-ylazetidine is sourced from PubChem (CID 79452464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).