N-(2,3-dihydro-1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-4-amine

C17H26N2S — CID 81301136

IUPACN-(2,3-dihydro-1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCC1(C)CC(NC2CSc3ccccc32)CC(C)(C)N1
InChIInChI=1S/C17H26N2S/c1-16(2)9-12(10-17(3,4)19-16)18-14-11-20-15-8-6-5-7-13(14)15/h5-8,12,14,18-19H,9-11H2,1-4H3
InChIKeyJNYHJZULSPLJDK-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.73
Rot. Bonds2

About N-(2,3-dihydro-1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-4-amine

N-(2,3-dihydro-1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-4-amine (PubChem CID 81301136) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-4-amine
PubChem CID81301136
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC NameN-(2,3-dihydro-1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCC1(C)CC(NC2CSc3ccccc32)CC(C)(C)N1
InChIInChI=1S/C17H26N2S/c1-16(2)9-12(10-17(3,4)19-16)18-14-11-20-15-8-6-5-7-13(14)15/h5-8,12,14,18-19H,9-11H2,1-4H3
InChIKeyJNYHJZULSPLJDK-UHFFFAOYSA-N
XLogP3.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 81338414
4-(2,3-dihydro-1-benzothiophen-3-ylamino)pyrrolidin-2-one
CID 106184667
N-(3,4-dihydro-2H-chromen-4-yl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 43182350
1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidin-3-amine
CID 81344999
N-(2,3-dihydro-1H-inden-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 43512924
N-(3-methylbutan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine
CID 81300725
N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81345629
N-(1-cyclobutylethyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 115721294
N-pentan-3-yl-2,3-dihydro-1-benzothiophen-3-amine
CID 81302250
1-[4-(2,3-dihydro-1-benzothiophen-3-ylamino)piperidin-1-yl]-2-methoxyethanone
CID 81338934
2-(2,3-dihydro-1-benzothiophen-3-ylamino)ethanol
CID 81302336
N-cyclopropyl-3-methyl-3,4-dihydro-2H-thiochromen-4-amine
CID 83910395

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-4-amine?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-4-amine (CID 81301136) is N-(2,3-dihydro-1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-4-amine is CC1(C)CC(NC2CSc3ccccc32)CC(C)(C)N1.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-4-amine?
The InChIKey is JNYHJZULSPLJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-16(2)9-12(10-17(3,4)19-16)18-14-11-20-15-8-6-5-7-13(14)15/h5-8,12,14,18-19H,9-11H2,1-4H3.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-4-amine?
N-(2,3-dihydro-1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-4-amine has a molecular weight of 290.48 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-4-amine is sourced from PubChem (CID 81301136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).