1-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylcyclopentane-1-carboxamide

C16H20N2OS — CID 119281546

IUPAC1-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylcyclopentane-1-carboxamide
SMILESCN(Cc1csc2ccccc12)C(=O)C1(N)CCCC1
InChIInChI=1S/C16H20N2OS/c1-18(15(19)16(17)8-4-5-9-16)10-12-11-20-14-7-3-2-6-13(12)14/h2-3,6-7,11H,4-5,8-10,17H2,1H3
InChIKeyCRTZSLOOIDNGOY-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.13
Rot. Bonds3

About 1-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylcyclopentane-1-carboxamide

1-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylcyclopentane-1-carboxamide (PubChem CID 119281546) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylcyclopentane-1-carboxamide
PubChem CID119281546
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylcyclopentane-1-carboxamide
SMILESCN(Cc1csc2ccccc12)C(=O)C1(N)CCCC1
InChIInChI=1S/C16H20N2OS/c1-18(15(19)16(17)8-4-5-9-16)10-12-11-20-14-7-3-2-6-13(12)14/h2-3,6-7,11H,4-5,8-10,17H2,1H3
InChIKeyCRTZSLOOIDNGOY-UHFFFAOYSA-N
XLogP3.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis(1-benzothiophen-3-ylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112827429
N-(1-benzothiophen-3-ylmethyl)-2-hydroxy-N-methylbenzamide
CID 75414970
N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-oxoacetamide
CID 115166467
1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea
CID 115169299
N-(1-benzothiophen-3-ylmethyl)-1-cyano-N-methylformamide
CID 115172418
1-amino-N-(1H-indol-3-ylmethyl)-N-methylcyclopropane-1-carboxamide
CID 115189880
1-amino-N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296493
1-amino-N-methyl-N-[(2-nitrophenyl)methyl]cyclopentane-1-carboxamide
CID 60946127
4-[1-benzothiophen-3-ylmethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672892
1-amino-N-[(2-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 60963653
4-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylpentanamide;hydrochloride
CID 120559866
1-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 60937332

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylcyclopentane-1-carboxamide (CID 119281546) is 1-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylcyclopentane-1-carboxamide is CN(Cc1csc2ccccc12)C(=O)C1(N)CCCC1.
What is the InChIKey of 1-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylcyclopentane-1-carboxamide?
The InChIKey is CRTZSLOOIDNGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-18(15(19)16(17)8-4-5-9-16)10-12-11-20-14-7-3-2-6-13(12)14/h2-3,6-7,11H,4-5,8-10,17H2,1H3.
What are the key properties of 1-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylcyclopentane-1-carboxamide?
1-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylcyclopentane-1-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 119281546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).