N-[2,3-dihydro-1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine

C17H23NOS — CID 105179214

IUPACN-[2,3-dihydro-1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
SMILESCCCNC(C1=COCCC1)C1Cc2ccccc2S1
InChIInChI=1S/C17H23NOS/c1-2-9-18-17(14-7-5-10-19-12-14)16-11-13-6-3-4-8-15(13)20-16/h3-4,6,8,12,16-18H,2,5,7,9-11H2,1H3
InChIKeyTWVJDTQBDMYVPK-UHFFFAOYSA-N
MW289.44 g/mol
LogP3.77
Rot. Bonds5

About N-[2,3-dihydro-1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine

N-[2,3-dihydro-1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine (PubChem CID 105179214) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
PubChem CID105179214
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-[2,3-dihydro-1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
SMILESCCCNC(C1=COCCC1)C1Cc2ccccc2S1
InChIInChI=1S/C17H23NOS/c1-2-9-18-17(14-7-5-10-19-12-14)16-11-13-6-3-4-8-15(13)20-16/h3-4,6,8,12,16-18H,2,5,7,9-11H2,1H3
InChIKeyTWVJDTQBDMYVPK-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2,3-dihydro-1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[(4-chlorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 105076227
N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102840468
N-[2,3-dihydro-1-benzothiophen-2-yl-(3-methylphenyl)methyl]propan-1-amine
CID 105090537
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-methyl-N-propylbutan-1-amine
CID 105170454
N-[2,3-dihydro-1-benzothiophen-2-yl-(3-fluorophenyl)methyl]propan-1-amine
CID 105092704
N-[6-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
CID 105033146
1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methyl-N-propylpentan-1-amine
CID 105126777
N-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-ethoxyethyl]propan-1-amine
CID 105165036
1-(2,3-dihydro-1-benzothiophen-2-yl)-3-methyl-N-propylpentan-1-amine
CID 105138314
N-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 105160573
N-[2,3-dihydro-1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 102652995
N-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169089

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydro-1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine (CID 105179214) is N-[2,3-dihydro-1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydro-1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydro-1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine is CCCNC(C1=COCCC1)C1Cc2ccccc2S1.
What is the InChIKey of N-[2,3-dihydro-1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine?
The InChIKey is TWVJDTQBDMYVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-2-9-18-17(14-7-5-10-19-12-14)16-11-13-6-3-4-8-15(13)20-16/h3-4,6,8,12,16-18H,2,5,7,9-11H2,1H3.
What are the key properties of N-[2,3-dihydro-1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine?
N-[2,3-dihydro-1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine has a molecular weight of 289.44 g/mol, XLogP of 3.77, 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-2-yl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 105179214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).