N-[2-(aminomethyl)-1-benzothiophen-5-yl]acetamide

C11H12N2OS — CID 119087583

IUPACN-[2-(aminomethyl)-1-benzothiophen-5-yl]acetamide
SMILESCC(=O)Nc1ccc2sc(CN)cc2c1
InChIInChI=1S/C11H12N2OS/c1-7(14)13-9-2-3-11-8(4-9)5-10(6-12)15-11/h2-5H,6,12H2,1H3,(H,13,14)
InChIKeyWDVRUWBFKDDXNV-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.32
Rot. Bonds2

About N-[2-(aminomethyl)-1-benzothiophen-5-yl]acetamide

N-[2-(aminomethyl)-1-benzothiophen-5-yl]acetamide (PubChem CID 119087583) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is N-[2-(aminomethyl)-1-benzothiophen-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-1-benzothiophen-5-yl]acetamide
PubChem CID119087583
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC NameN-[2-(aminomethyl)-1-benzothiophen-5-yl]acetamide
SMILESCC(=O)Nc1ccc2sc(CN)cc2c1
InChIInChI=1S/C11H12N2OS/c1-7(14)13-9-2-3-11-8(4-9)5-10(6-12)15-11/h2-5H,6,12H2,1H3,(H,13,14)
InChIKeyWDVRUWBFKDDXNV-UHFFFAOYSA-N
XLogP2.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)-1-benzothiophen-5-yl]methanamine
CID 117176262
(5-tert-butyl-1-benzothiophen-2-yl)methanamine
CID 84740294
(5-methoxy-1-benzothiophen-2-yl)methanamine
CID 82605307
1-benzothiophen-2-ylmethanamine;hydroiodide
CID 175928794
3-[5-[(4-methylbenzoyl)amino]-1-benzothiophen-2-yl]propanoic acid
CID 155343257
3-[5-[(4-tert-butylbenzoyl)amino]-1-benzothiophen-2-yl]propanoic acid
CID 155343271
N-[4-acetyl-3-(aminomethyl)phenyl]acetamide
CID 150539337
N-[3-(aminomethyl)-4-fluorophenyl]acetamide
CID 62317128
ethyl 5-(3-aminopropanoylamino)-1-benzothiophene-2-carboxylate
CID 119281383
N,N-diethyl-5-(prop-1-en-2-ylamino)-1-benzothiophene-2-carboxamide
CID 129236873
N-[[5-(aminomethyl)-1-benzothiophen-2-yl]methyl]ethanamine
CID 117176292
N-(2-ethyl-1-benzothiophen-5-yl)methanesulfonamide
CID 19754290

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-1-benzothiophen-5-yl]acetamide?
The IUPAC name of N-[2-(aminomethyl)-1-benzothiophen-5-yl]acetamide (CID 119087583) is N-[2-(aminomethyl)-1-benzothiophen-5-yl]acetamide.
What is the SMILES notation for N-[2-(aminomethyl)-1-benzothiophen-5-yl]acetamide?
The canonical SMILES for N-[2-(aminomethyl)-1-benzothiophen-5-yl]acetamide is CC(=O)Nc1ccc2sc(CN)cc2c1.
What is the InChIKey of N-[2-(aminomethyl)-1-benzothiophen-5-yl]acetamide?
The InChIKey is WDVRUWBFKDDXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-7(14)13-9-2-3-11-8(4-9)5-10(6-12)15-11/h2-5H,6,12H2,1H3,(H,13,14).
What are the key properties of N-[2-(aminomethyl)-1-benzothiophen-5-yl]acetamide?
N-[2-(aminomethyl)-1-benzothiophen-5-yl]acetamide has a molecular weight of 220.30 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-1-benzothiophen-5-yl]acetamide is sourced from PubChem (CID 119087583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).