N-(1-benzothiophen-3-ylmethyl)-1-thiophen-2-ylmethanamine

C14H13NS2 — CID 60704292

IUPACN-(1-benzothiophen-3-ylmethyl)-1-thiophen-2-ylmethanamine
SMILESc1csc(CNCc2csc3ccccc23)c1
InChIInChI=1S/C14H13NS2/c1-2-6-14-13(5-1)11(10-17-14)8-15-9-12-4-3-7-16-12/h1-7,10,15H,8-9H2
InChIKeyBKQYRTNZEFPSSE-UHFFFAOYSA-N
MW259.40 g/mol
LogP4.25
Rot. Bonds4

About N-(1-benzothiophen-3-ylmethyl)-1-thiophen-2-ylmethanamine

N-(1-benzothiophen-3-ylmethyl)-1-thiophen-2-ylmethanamine (PubChem CID 60704292) has the molecular formula C14H13NS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-1-thiophen-2-ylmethanamine
PubChem CID60704292
Molecular FormulaC14H13NS2
Molecular Weight259.40 g/mol
Exact Mass259.05
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-1-thiophen-2-ylmethanamine
SMILESc1csc(CNCc2csc3ccccc23)c1
InChIInChI=1S/C14H13NS2/c1-2-6-14-13(5-1)11(10-17-14)8-15-9-12-4-3-7-16-12/h1-7,10,15H,8-9H2
InChIKeyBKQYRTNZEFPSSE-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-1-yl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17289837
N-(1-benzothiophen-3-ylmethyl)propan-1-amine
CID 46785290
2-(1-benzothiophen-3-ylmethylamino)ethanol
CID 60705162
N-(1-benzothiophen-3-ylmethyl)-1-(5-methylfuran-2-yl)methanamine
CID 60777708
2-(1-benzothiophen-3-ylmethylamino)acetonitrile
CID 115131048
(2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 94331216
2-(1-benzothiophen-3-ylmethylamino)acetic acid
CID 62699978
N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 55023246
N-(1-benzothiophen-3-ylmethyl)-1-(4-methoxyphenyl)methanamine
CID 60704248
4-[(1-benzothiophen-3-ylmethylamino)methyl]-N,N-dimethylaniline
CID 60704952
N-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine
CID 62694134
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-1-thiophen-2-ylmethanamine?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-1-thiophen-2-ylmethanamine (CID 60704292) is N-(1-benzothiophen-3-ylmethyl)-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-1-thiophen-2-ylmethanamine is c1csc(CNCc2csc3ccccc23)c1.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-1-thiophen-2-ylmethanamine?
The InChIKey is BKQYRTNZEFPSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NS2/c1-2-6-14-13(5-1)11(10-17-14)8-15-9-12-4-3-7-16-12/h1-7,10,15H,8-9H2.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-1-thiophen-2-ylmethanamine?
N-(1-benzothiophen-3-ylmethyl)-1-thiophen-2-ylmethanamine has a molecular weight of 259.40 g/mol, XLogP of 4.25, 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-thiophen-2-ylmethanamine is sourced from PubChem (CID 60704292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).