2-spiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-ylethanamine

C13H17NS — CID 83910390

IUPAC2-spiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-ylethanamine
SMILESNCCC1c2ccccc2SC12CCC2
InChIInChI=1S/C13H17NS/c14-9-6-11-10-4-1-2-5-12(10)15-13(11)7-3-8-13/h1-2,4-5,11H,3,6-9,14H2
InChIKeyNYBAEUXYRKXLOR-UHFFFAOYSA-N
MW219.35 g/mol
LogP3.15
Rot. Bonds2

About 2-spiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-ylethanamine

2-spiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-ylethanamine (PubChem CID 83910390) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-spiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-ylethanamine.

Molecular Properties

Compound Name2-spiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-ylethanamine
PubChem CID83910390
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name2-spiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-ylethanamine
SMILESNCCC1c2ccccc2SC12CCC2
InChIInChI=1S/C13H17NS/c14-9-6-11-10-4-1-2-5-12(10)15-13(11)7-3-8-13/h1-2,4-5,11H,3,6-9,14H2
InChIKeyNYBAEUXYRKXLOR-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine
CID 83907444
2-spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylacetic acid
CID 83910462
N-methylspiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-amine
CID 112715904
2-spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylpropan-1-amine
CID 83910389
2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)ethanamine
CID 79221485
[3-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 79212624
1-(aminomethyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclobutane-1-carboxamide
CID 115447459
1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclopentan-1-ol
CID 81345434
3,4-dihydro-2H-thiochromen-4-ylmethanamine
CID 82409281
(3S)-1'-methyl-3-(2-methylphenyl)spiro[3H-1-benzothiophene-2,4'-piperidine]
CID 1229974
(4aR,9bR)-4a-methyl-2,3,4,9b-tetrahydro-1H-[1]benzothiolo[3,2-b]pyridine
CID 59542445
1-[[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416309

Frequently Asked Questions

What is the IUPAC name of 2-spiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-ylethanamine?
The IUPAC name of 2-spiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-ylethanamine (CID 83910390) is 2-spiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-ylethanamine.
What is the SMILES notation for 2-spiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-ylethanamine?
The canonical SMILES for 2-spiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-ylethanamine is NCCC1c2ccccc2SC12CCC2.
What is the InChIKey of 2-spiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-ylethanamine?
The InChIKey is NYBAEUXYRKXLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c14-9-6-11-10-4-1-2-5-12(10)15-13(11)7-3-8-13/h1-2,4-5,11H,3,6-9,14H2.
What are the key properties of 2-spiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-ylethanamine?
2-spiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-ylethanamine has a molecular weight of 219.35 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[3H-1-benzothiophene-2,1'-cyclobutane]-3-ylethanamine is sourced from PubChem (CID 83910390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).