N-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]propan-1-amine

C16H21NOS — CID 43497204

IUPACN-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1csc2ccccc12)C1CCCO1
InChIInChI=1S/C16H21NOS/c1-2-9-17-16(14-7-5-10-18-14)13-11-19-15-8-4-3-6-12(13)15/h3-4,6,8,11,14,16-17H,2,5,7,9-10H2,1H3
InChIKeyNDTNYUKRFQXTSJ-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.12
Rot. Bonds5

About N-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]propan-1-amine

N-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]propan-1-amine (PubChem CID 43497204) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]propan-1-amine
PubChem CID43497204
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1csc2ccccc12)C1CCCO1
InChIInChI=1S/C16H21NOS/c1-2-9-17-16(14-7-5-10-18-14)13-11-19-15-8-4-3-6-12(13)15/h3-4,6,8,11,14,16-17H,2,5,7,9-10H2,1H3
InChIKeyNDTNYUKRFQXTSJ-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]propan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]propan-1-amine (CID 43497204) is N-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]propan-1-amine is CCCNC(c1csc2ccccc12)C1CCCO1.
What is the InChIKey of N-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]propan-1-amine?
The InChIKey is NDTNYUKRFQXTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-2-9-17-16(14-7-5-10-18-14)13-11-19-15-8-4-3-6-12(13)15/h3-4,6,8,11,14,16-17H,2,5,7,9-10H2,1H3.
What are the key properties of N-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]propan-1-amine?
N-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]propan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzothiophen-3-yl(oxolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 43497204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).