1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methanamine

C14H15NOS — CID 105033279

IUPAC1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methanamine
SMILESNC(C1=COCCC1)c1cc2ccccc2s1
InChIInChI=1S/C14H15NOS/c15-14(11-5-3-7-16-9-11)13-8-10-4-1-2-6-12(10)17-13/h1-2,4,6,8-9,14H,3,5,7,15H2
InChIKeyUWQZPYSNLXYMRQ-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.60
Rot. Bonds2

About 1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methanamine

1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methanamine (PubChem CID 105033279) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methanamine
PubChem CID105033279
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methanamine
SMILESNC(C1=COCCC1)c1cc2ccccc2s1
InChIInChI=1S/C14H15NOS/c15-14(11-5-3-7-16-9-11)13-8-10-4-1-2-6-12(10)17-13/h1-2,4,6,8-9,14H,3,5,7,15H2
InChIKeyUWQZPYSNLXYMRQ-UHFFFAOYSA-N
XLogP3.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methanamine
CID 102653581
1-(1-benzothiophen-2-yl)ethanamine
CID 3904659
1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methanamine
CID 61406697
1-benzothiophen-2-yl-(2-chlorophenyl)methanamine
CID 70818866
1-benzothiophen-2-yl-(4,5-dibromothiophen-2-yl)methanamine
CID 80532944
1-benzothiophen-2-yl-(4-methylphenyl)methanamine
CID 61406920
1-benzothiophen-2-yl-(5-bromo-1-benzofuran-2-yl)methanamine
CID 114910339
1-benzothiophen-2-yl-(2,5-dichlorophenyl)methanamine
CID 61406696
1-benzothiophen-2-yl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 61406740
2-(1-benzothiophen-2-yl)-4-methylpentan-3-amine
CID 114911206
1-(1-benzothiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 114193144
(3-bromo-2-chlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033054

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methanamine?
The IUPAC name of 1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methanamine (CID 105033279) is 1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methanamine.
What is the SMILES notation for 1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methanamine?
The canonical SMILES for 1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methanamine is NC(C1=COCCC1)c1cc2ccccc2s1.
What is the InChIKey of 1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methanamine?
The InChIKey is UWQZPYSNLXYMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c15-14(11-5-3-7-16-9-11)13-8-10-4-1-2-6-12(10)17-13/h1-2,4,6,8-9,14H,3,5,7,15H2.
What are the key properties of 1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methanamine?
1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methanamine has a molecular weight of 245.35 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl(3,4-dihydro-2H-pyran-5-yl)methanamine is sourced from PubChem (CID 105033279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).