1-thiophen-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]

C16H17NOS — CID 21428781

IUPAC1-thiophen-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]
SMILESc1csc(C2OC3(CCNCC3)c3ccccc32)c1
InChIInChI=1S/C16H17NOS/c1-2-5-13-12(4-1)15(14-6-3-11-19-14)18-16(13)7-9-17-10-8-16/h1-6,11,15,17H,7-10H2
InChIKeyHJBBILRBCDLJSO-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.45
Rot. Bonds1

About 1-thiophen-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]

1-thiophen-2-ylspiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 21428781) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-thiophen-2-ylspiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1-thiophen-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID21428781
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name1-thiophen-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]
SMILESc1csc(C2OC3(CCNCC3)c3ccccc32)c1
InChIInChI=1S/C16H17NOS/c1-2-5-13-12(4-1)15(14-6-3-11-19-14)18-16(13)7-9-17-10-8-16/h1-6,11,15,17H,7-10H2
InChIKeyHJBBILRBCDLJSO-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-3-ylspiro[1H-2-benzofuran-3,4'-piperidine];hydrobromide
CID 21428792
2-spiro[1H-2-benzofuran-3,4'-piperidine]-1-ylethanol
CID 83854136
N,N-diethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
CID 71193661
1-phenyl-2'-sulfinylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 163444417
(2S)-2-thiophen-2-ylaziridine
CID 55263035
4-thiophen-2-yl-1,3-oxazolidine-2,5-dione
CID 13312725
(3-propan-2-yloxy-1-benzothiophen-2-yl)-[(1R)-spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]methanone
CID 90747155
(4R)-4-thiophen-2-ylspiro[1,4-dihydroimidazole-5,9'-fluorene]
CID 122365542
4-(2-cyclobutylphenyl)-4-fluoropiperidine
CID 114607386
(1S)-1-(4-methoxyphenyl)spiro[1H-2-benzofuran-3,4'-oxane]
CID 164668462
(1S,2R)-spiro[1,2-dihydroindene-3,4'-piperidine]-1,2-diol
CID 131859580
2-thiophen-2-yl-1-oxa-4-azaspiro[5.6]dodecane
CID 65123509

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1-thiophen-2-ylspiro[1H-2-benzofuran-3,4'-piperidine] (CID 21428781) is 1-thiophen-2-ylspiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1-thiophen-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1-thiophen-2-ylspiro[1H-2-benzofuran-3,4'-piperidine] is c1csc(C2OC3(CCNCC3)c3ccccc32)c1.
What is the InChIKey of 1-thiophen-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is HJBBILRBCDLJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-2-5-13-12(4-1)15(14-6-3-11-19-14)18-16(13)7-9-17-10-8-16/h1-6,11,15,17H,7-10H2.
What are the key properties of 1-thiophen-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]?
1-thiophen-2-ylspiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 271.38 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylspiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 21428781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).