N-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide

C13H16N2OS — CID 115271656

IUPACN-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide
SMILESCC(CN)CNC(=O)c1csc2ccccc12
InChIInChI=1S/C13H16N2OS/c1-9(6-14)7-15-13(16)11-8-17-12-5-3-2-4-10(11)12/h2-5,8-9H,6-7,14H2,1H3,(H,15,16)
InChIKeyRAHGCCZQHXKTFZ-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.23
Rot. Bonds4

About N-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide

N-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide (PubChem CID 115271656) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide
PubChem CID115271656
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide
SMILESCC(CN)CNC(=O)c1csc2ccccc12
InChIInChI=1S/C13H16N2OS/c1-9(6-14)7-15-13(16)11-8-17-12-5-3-2-4-10(11)12/h2-5,8-9H,6-7,14H2,1H3,(H,15,16)
InChIKeyRAHGCCZQHXKTFZ-UHFFFAOYSA-N
XLogP2.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide
CID 83030979
N-(2-hydroxy-4-methylpentyl)-1-benzothiophene-3-carboxamide
CID 103770892
N-(2,2-diethoxyethyl)-1-benzothiophene-3-carboxamide
CID 112723140
N-(3-imidazol-1-yl-2-methylpropyl)-1-benzothiophene-3-carboxamide
CID 122141828
N-(4-chloropentyl)-1-benzothiophene-3-carboxamide
CID 114147435
N-(3-amino-2-methylpropyl)-2-methylbenzamide
CID 62666683
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzothiophene-3-carboxamide
CID 115271314
N-(3-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119998030
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
CID 24638739
N-(1-bromopropan-2-yl)-1-benzothiophene-3-carboxamide
CID 114310766
N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
CID 13058563
N-[3-(methylamino)propyl]-1-benzothiophene-3-carboxamide
CID 55012748

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide (CID 115271656) is N-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide is CC(CN)CNC(=O)c1csc2ccccc12.
What is the InChIKey of N-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide?
The InChIKey is RAHGCCZQHXKTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9(6-14)7-15-13(16)11-8-17-12-5-3-2-4-10(11)12/h2-5,8-9H,6-7,14H2,1H3,(H,15,16).
What are the key properties of N-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide?
N-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide has a molecular weight of 248.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 115271656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).