N-[3-(methylamino)propyl]-1-benzothiophene-3-carboxamide

C13H16N2OS — CID 55012748

IUPACN-[3-(methylamino)propyl]-1-benzothiophene-3-carboxamide
SMILESCNCCCNC(=O)c1csc2ccccc12
InChIInChI=1S/C13H16N2OS/c1-14-7-4-8-15-13(16)11-9-17-12-6-3-2-5-10(11)12/h2-3,5-6,9,14H,4,7-8H2,1H3,(H,15,16)
InChIKeyDPRXEDPHMXWSTG-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.24
Rot. Bonds5

About N-[3-(methylamino)propyl]-1-benzothiophene-3-carboxamide

N-[3-(methylamino)propyl]-1-benzothiophene-3-carboxamide (PubChem CID 55012748) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-1-benzothiophene-3-carboxamide
PubChem CID55012748
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-[3-(methylamino)propyl]-1-benzothiophene-3-carboxamide
SMILESCNCCCNC(=O)c1csc2ccccc12
InChIInChI=1S/C13H16N2OS/c1-14-7-4-8-15-13(16)11-9-17-12-6-3-2-5-10(11)12/h2-3,5-6,9,14H,4,7-8H2,1H3,(H,15,16)
InChIKeyDPRXEDPHMXWSTG-UHFFFAOYSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-chlorohexyl)-1-benzothiophene-3-carboxamide
CID 114008448
N-(4-chloropentyl)-1-benzothiophene-3-carboxamide
CID 114147435
N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
CID 13058563
N-(2-methylsulfonylethyl)-1-benzothiophene-3-carboxamide
CID 60545184
N-[(2S)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide
CID 83030979
N-[3-(2-methyltriazol-4-yl)propyl]-1-benzothiophene-3-carboxamide
CID 122136233
N-(2-hydroxy-4-methylpentyl)-1-benzothiophene-3-carboxamide
CID 103770892
4-(1-benzothiophen-3-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119433107
N-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide
CID 115271656
N-[2-(2-amino-2-oxoethoxy)ethyl]-1-benzothiophene-3-carboxamide
CID 122148632
N-(4-bromo-2,2-dimethylbutyl)-1-benzothiophene-3-carboxamide
CID 106143938
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzothiophene-3-carboxamide
CID 115271314

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[3-(methylamino)propyl]-1-benzothiophene-3-carboxamide (CID 55012748) is N-[3-(methylamino)propyl]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[3-(methylamino)propyl]-1-benzothiophene-3-carboxamide is CNCCCNC(=O)c1csc2ccccc12.
What is the InChIKey of N-[3-(methylamino)propyl]-1-benzothiophene-3-carboxamide?
The InChIKey is DPRXEDPHMXWSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-14-7-4-8-15-13(16)11-9-17-12-6-3-2-5-10(11)12/h2-3,5-6,9,14H,4,7-8H2,1H3,(H,15,16).
What are the key properties of N-[3-(methylamino)propyl]-1-benzothiophene-3-carboxamide?
N-[3-(methylamino)propyl]-1-benzothiophene-3-carboxamide has a molecular weight of 248.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 55012748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).