N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(1-methylpiperidin-4-yl)ethanamine

C17H26N2S — CID 114515366

IUPACN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(1-methylpiperidin-4-yl)ethanamine
SMILESCN1CCC(CCNCC2CSc3ccccc32)CC1
InChIInChI=1S/C17H26N2S/c1-19-10-7-14(8-11-19)6-9-18-12-15-13-20-17-5-3-2-4-16(15)17/h2-5,14-15,18H,6-13H2,1H3
InChIKeySVIGFMLISCPTCB-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.20
Rot. Bonds5

About N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(1-methylpiperidin-4-yl)ethanamine

N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(1-methylpiperidin-4-yl)ethanamine (PubChem CID 114515366) 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-ylmethyl)-2-(1-methylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(1-methylpiperidin-4-yl)ethanamine
PubChem CID114515366
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(1-methylpiperidin-4-yl)ethanamine
SMILESCN1CCC(CCNCC2CSc3ccccc32)CC1
InChIInChI=1S/C17H26N2S/c1-19-10-7-14(8-11-19)6-9-18-12-15-13-20-17-5-3-2-4-16(15)17/h2-5,14-15,18H,6-13H2,1H3
InChIKeySVIGFMLISCPTCB-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclobutyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine
CID 113478802
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine
CID 79221307
1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine
CID 79213522
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine
CID 79220707
N'-cyclopentyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 79220623
3-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-1-ol
CID 79220922
3-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)butan-1-amine
CID 79226615
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-5-methylhexan-1-amine
CID 113287462
2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-1-amine
CID 79227011
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-propylcyclohexan-1-amine
CID 79221621
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 114536426
1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 79220843

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(1-methylpiperidin-4-yl)ethanamine?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(1-methylpiperidin-4-yl)ethanamine (CID 114515366) is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(1-methylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(1-methylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(1-methylpiperidin-4-yl)ethanamine is CN1CCC(CCNCC2CSc3ccccc32)CC1.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(1-methylpiperidin-4-yl)ethanamine?
The InChIKey is SVIGFMLISCPTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-19-10-7-14(8-11-19)6-9-18-12-15-13-20-17-5-3-2-4-16(15)17/h2-5,14-15,18H,6-13H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(1-methylpiperidin-4-yl)ethanamine?
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(1-methylpiperidin-4-yl)ethanamine has a molecular weight of 290.48 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(1-methylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 114515366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).