N-[2-(aminomethyl)cyclohexyl]-1-benzothiophene-2-carboxamide;hydrochloride

C16H21ClN2OS — CID 119609795

IUPACN-[2-(aminomethyl)cyclohexyl]-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C16H20N2OS.ClH/c17-10-12-6-1-3-7-13(12)18-16(19)15-9-11-5-2-4-8-14(11)20-15;/h2,4-5,8-9,12-13H,1,3,6-7,10,17H2,(H,18,19);1H
InChIKeyRREGEGMFWHNFIM-UHFFFAOYSA-N
MW324.88 g/mol
LogP3.57
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-1-benzothiophene-2-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-1-benzothiophene-2-carboxamide;hydrochloride (PubChem CID 119609795) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-1-benzothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-1-benzothiophene-2-carboxamide;hydrochloride
PubChem CID119609795
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C16H20N2OS.ClH/c17-10-12-6-1-3-7-13(12)18-16(19)15-9-11-5-2-4-8-14(11)20-15;/h2,4-5,8-9,12-13H,1,3,6-7,10,17H2,(H,18,19);1H
InChIKeyRREGEGMFWHNFIM-UHFFFAOYSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopentylethyl)-1-benzothiophene-2-carboxamide
CID 106737595
N-(2-amino-1-cyclopropylethyl)-1-benzothiophene-2-carboxamide;hydrochloride
CID 119613670
6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-1-benzothiophene-2-carboxamide
CID 103860288
N-[2-(aminomethyl)cyclopentyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 119600706
N-[2-(chloromethyl)cyclohexyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 106366646
5-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1-benzothiophene-2-carboxamide
CID 107211414
5-amino-N-(2-hydroxycyclohexyl)-1-benzothiophene-2-carboxamide
CID 62366799
N-[2-(aminomethyl)cyclohexyl]isoquinoline-1-carboxamide;dihydrochloride
CID 119610583
N-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide
CID 143199386
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclopentyl]-4-bromothiophene-2-carboxamide;hydrochloride
CID 119600817
N-[2-(aminomethyl)cyclopentyl]-2-naphthalen-2-ylacetamide;hydrochloride
CID 119600586

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-benzothiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-benzothiophene-2-carboxamide;hydrochloride (CID 119609795) is N-[2-(aminomethyl)cyclohexyl]-1-benzothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-1-benzothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-1-benzothiophene-2-carboxamide;hydrochloride is Cl.NCC1CCCCC1NC(=O)c1cc2ccccc2s1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-1-benzothiophene-2-carboxamide;hydrochloride?
The InChIKey is RREGEGMFWHNFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS.ClH/c17-10-12-6-1-3-7-13(12)18-16(19)15-9-11-5-2-4-8-14(11)20-15;/h2,4-5,8-9,12-13H,1,3,6-7,10,17H2,(H,18,19);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-1-benzothiophene-2-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-1-benzothiophene-2-carboxamide;hydrochloride has a molecular weight of 324.88 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-1-benzothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119609795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).