N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzothiophene-3-carboxamide

C14H16N2OS — CID 115271314

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzothiophene-3-carboxamide
SMILESNCC1(CNC(=O)c2csc3ccccc23)CC1
InChIInChI=1S/C14H16N2OS/c15-8-14(5-6-14)9-16-13(17)11-7-18-12-4-2-1-3-10(11)12/h1-4,7H,5-6,8-9,15H2,(H,16,17)
InChIKeyIGYJVXFHTYBWDX-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.37
Rot. Bonds4

About N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzothiophene-3-carboxamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzothiophene-3-carboxamide (PubChem CID 115271314) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzothiophene-3-carboxamide
PubChem CID115271314
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzothiophene-3-carboxamide
SMILESNCC1(CNC(=O)c2csc3ccccc23)CC1
InChIInChI=1S/C14H16N2OS/c15-8-14(5-6-14)9-16-13(17)11-7-18-12-4-2-1-3-10(11)12/h1-4,7H,5-6,8-9,15H2,(H,16,17)
InChIKeyIGYJVXFHTYBWDX-UHFFFAOYSA-N
XLogP2.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide
CID 113313648
N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
CID 13058563
N-(pyridin-2-ylmethyl)-1-benzothiophene-3-carboxamide
CID 1247032
N-[1-(bromomethyl)cyclohexyl]-1-benzothiophene-3-carboxamide
CID 114314247
N-[(2S)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide
CID 83030979
N-[(4-fluorophenyl)methyl]-1-benzothiophene-3-carboxamide
CID 17173127
N-(2-methylsulfonylethyl)-1-benzothiophene-3-carboxamide
CID 60545184
N-(6-chlorohexyl)-1-benzothiophene-3-carboxamide
CID 114008448
N-[2-(2-amino-2-oxoethoxy)ethyl]-1-benzothiophene-3-carboxamide
CID 122148632
N-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide
CID 115365406
N-(2-aminoethyl)-N-methyl-1-benzothiophene-3-carboxamide
CID 62682956
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-tert-butylbenzamide
CID 115365396

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzothiophene-3-carboxamide (CID 115271314) is N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzothiophene-3-carboxamide is NCC1(CNC(=O)c2csc3ccccc23)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzothiophene-3-carboxamide?
The InChIKey is IGYJVXFHTYBWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c15-8-14(5-6-14)9-16-13(17)11-7-18-12-4-2-1-3-10(11)12/h1-4,7H,5-6,8-9,15H2,(H,16,17).
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzothiophene-3-carboxamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzothiophene-3-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 115271314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).