N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)methanamine

C14H17NOS — CID 55023246

IUPACN-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)methanamine
SMILESc1ccc2c(CNCC3CCCO3)csc2c1
InChIInChI=1S/C14H17NOS/c1-2-6-14-13(5-1)11(10-17-14)8-15-9-12-4-3-7-16-12/h1-2,5-6,10,12,15H,3-4,7-9H2
InChIKeyHJDYWBVNTHYMGY-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.17
Rot. Bonds4

About N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)methanamine

N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)methanamine (PubChem CID 55023246) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)methanamine
PubChem CID55023246
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)methanamine
SMILESc1ccc2c(CNCC3CCCO3)csc2c1
InChIInChI=1S/C14H17NOS/c1-2-6-14-13(5-1)11(10-17-14)8-15-9-12-4-3-7-16-12/h1-2,5-6,10,12,15H,3-4,7-9H2
InChIKeyHJDYWBVNTHYMGY-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-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

N-(1-benzothiophen-3-ylmethyl)-1-cyclohexylmethanamine
CID 55198456
N-(1-benzothiophen-3-ylmethyl)-1-(thian-4-yl)methanamine
CID 113235576
1-(1-benzothiophen-3-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 63737763
3-[(1-benzothiophen-3-ylmethylamino)methyl]cyclobutan-1-amine
CID 115214140
N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29228595
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 964934
1-(oxolan-2-yl)-N-(quinolin-5-ylmethyl)methanamine
CID 55061002
4-[(1-benzothiophen-3-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79529921
N-(1-benzothiophen-3-ylmethyl)-1-thiophen-2-ylmethanamine
CID 60704292
2-[(oxolan-2-ylmethylamino)methyl]benzenesulfonamide
CID 68614900
N-(1-benzothiophen-3-ylmethyl)cycloheptanamine
CID 55199785
N-[(2,3-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7458212

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)methanamine (CID 55023246) is N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)methanamine is c1ccc2c(CNCC3CCCO3)csc2c1.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)methanamine?
The InChIKey is HJDYWBVNTHYMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-2-6-14-13(5-1)11(10-17-14)8-15-9-12-4-3-7-16-12/h1-2,5-6,10,12,15H,3-4,7-9H2.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)methanamine?
N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)methanamine has a molecular weight of 247.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 55023246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).