N-[2-(aminomethyl)cyclopentyl]-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride

C17H23ClN2O2S — CID 119603360

IUPACN-[2-(aminomethyl)cyclopentyl]-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCOc1ccc2sc(C(=O)NC3CCCC3CN)c(C)c2c1.Cl
InChIInChI=1S/C17H22N2O2S.ClH/c1-10-13-8-12(21-2)6-7-15(13)22-16(10)17(20)19-14-5-3-4-11(14)9-18;/h6-8,11,14H,3-5,9,18H2,1-2H3,(H,19,20);1H
InChIKeyXAWRFCXKHNXDEY-UHFFFAOYSA-N
MW354.90 g/mol
LogP3.50
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride (PubChem CID 119603360) has the molecular formula C17H23ClN2O2S and a molecular weight of 354.90 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride
PubChem CID119603360
Molecular FormulaC17H23ClN2O2S
Molecular Weight354.90 g/mol
Exact Mass354.12
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCOc1ccc2sc(C(=O)NC3CCCC3CN)c(C)c2c1.Cl
InChIInChI=1S/C17H22N2O2S.ClH/c1-10-13-8-12(21-2)6-7-15(13)22-16(10)17(20)19-14-5-3-4-11(14)9-18;/h6-8,11,14H,3-5,9,18H2,1-2H3,(H,19,20);1H
InChIKeyXAWRFCXKHNXDEY-UHFFFAOYSA-N
XLogP3.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.90
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-3-methyl-N-(2-methylpiperidin-3-yl)-1-benzothiophene-2-carboxamide
CID 120574129
N-[2-(aminomethyl)cyclopentyl]-2,5-dimethoxybenzamide;hydrochloride
CID 119602527
N-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride
CID 119610574
cis-(1S,3R)-3-[(5-methoxy-3-methyl-1-benzothiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120676461
N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride
CID 119997903
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
CID 119607591
5-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 119512740
N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethoxyphenyl)acetamide;hydrochloride
CID 119610659
N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
CID 119997904
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
5-methoxy-3-methyl-N-[2-(methylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 119502573
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(5-methoxy-3-methyl-1-benzothiophen-2-yl)methanone
CID 124611699

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride (CID 119603360) is N-[2-(aminomethyl)cyclopentyl]-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride is COc1ccc2sc(C(=O)NC3CCCC3CN)c(C)c2c1.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride?
The InChIKey is XAWRFCXKHNXDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S.ClH/c1-10-13-8-12(21-2)6-7-15(13)22-16(10)17(20)19-14-5-3-4-11(14)9-18;/h6-8,11,14H,3-5,9,18H2,1-2H3,(H,19,20);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride has a molecular weight of 354.90 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119603360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).