N-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine

C16H24N2S — CID 81345285

IUPACN-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCN1CCC(CNC2CSc3ccccc32)CC1
InChIInChI=1S/C16H24N2S/c1-2-18-9-7-13(8-10-18)11-17-15-12-19-16-6-4-3-5-14(15)16/h3-6,13,15,17H,2,7-12H2,1H3
InChIKeyLRMPXPOLDCBUGF-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.15
Rot. Bonds4

About N-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine

N-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 81345285) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID81345285
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCN1CCC(CNC2CSc3ccccc32)CC1
InChIInChI=1S/C16H24N2S/c1-2-18-9-7-13(8-10-18)11-17-15-12-19-16-6-4-3-5-14(15)16/h3-6,13,15,17H,2,7-12H2,1H3
InChIKeyLRMPXPOLDCBUGF-UHFFFAOYSA-N
XLogP3.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81296311
N-(thian-4-ylmethyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 115719938
N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149292
N-[(1-ethylpiperidin-4-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 81345188
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43740209
N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63462609
2-(2,3-dihydro-1-benzothiophen-3-ylamino)ethanol
CID 81302336
N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81300282
N-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701076
N-[3-(2-methylpropoxy)propyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81301169
N-pentan-3-yl-2,3-dihydro-1-benzothiophen-3-amine
CID 81302250
N-[[2-(methoxymethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81301919

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine (CID 81345285) is N-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine is CCN1CCC(CNC2CSc3ccccc32)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is LRMPXPOLDCBUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-2-18-9-7-13(8-10-18)11-17-15-12-19-16-6-4-3-5-14(15)16/h3-6,13,15,17H,2,7-12H2,1H3.
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine?
N-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 276.45 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 81345285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).