N-(3-aminocyclopentyl)-1-benzothiophene-3-carboxamide

C14H16N2OS — CID 115272862

IUPACN-(3-aminocyclopentyl)-1-benzothiophene-3-carboxamide
SMILESNC1CCC(NC(=O)c2csc3ccccc23)C1
InChIInChI=1S/C14H16N2OS/c15-9-5-6-10(7-9)16-14(17)12-8-18-13-4-2-1-3-11(12)13/h1-4,8-10H,5-7,15H2,(H,16,17)
InChIKeyJRZPTNVJPSUZOS-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.51
Rot. Bonds2

About N-(3-aminocyclopentyl)-1-benzothiophene-3-carboxamide

N-(3-aminocyclopentyl)-1-benzothiophene-3-carboxamide (PubChem CID 115272862) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(3-aminocyclopentyl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminocyclopentyl)-1-benzothiophene-3-carboxamide
PubChem CID115272862
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-(3-aminocyclopentyl)-1-benzothiophene-3-carboxamide
SMILESNC1CCC(NC(=O)c2csc3ccccc23)C1
InChIInChI=1S/C14H16N2OS/c15-9-5-6-10(7-9)16-14(17)12-8-18-13-4-2-1-3-11(12)13/h1-4,8-10H,5-7,15H2,(H,16,17)
InChIKeyJRZPTNVJPSUZOS-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-(1-benzothiophene-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 106320846
N-[(3S)-pyrrolidin-3-yl]-1-benzothiophene-3-carboxamide
CID 79688085
N-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide
CID 25236399
N-(3,3-dimethylcyclopentyl)-1-benzothiophene-3-carboxamide
CID 114550457
N-piperidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride
CID 119426966
4-(1-benzothiophene-3-carbonylamino)cyclopent-2-ene-1-carboxylic acid
CID 79209011
N-(2,5-dichloro-4-methylidenecyclohexyl)-1-benzothiophene-3-carboxamide
CID 90746524
N-(2-chloro-5-fluoro-4-methylidenecyclohexyl)-1-benzothiophene-3-carboxamide
CID 90769889
N-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-benzothiophene-3-carboxamide
CID 122158928
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-benzothiophene-3-carboxamide
CID 60537436
1-[(1S,3R)-3-aminocyclopentyl]-3-[(3-chloro-1-benzothiophen-2-yl)methyl]urea
CID 121499849
N-[(2-methylpropan-2-yl)oxy]-1-benzothiophene-3-carboxamide
CID 82726518

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclopentyl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(3-aminocyclopentyl)-1-benzothiophene-3-carboxamide (CID 115272862) is N-(3-aminocyclopentyl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(3-aminocyclopentyl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(3-aminocyclopentyl)-1-benzothiophene-3-carboxamide is NC1CCC(NC(=O)c2csc3ccccc23)C1.
What is the InChIKey of N-(3-aminocyclopentyl)-1-benzothiophene-3-carboxamide?
The InChIKey is JRZPTNVJPSUZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c15-9-5-6-10(7-9)16-14(17)12-8-18-13-4-2-1-3-11(12)13/h1-4,8-10H,5-7,15H2,(H,16,17).
What are the key properties of N-(3-aminocyclopentyl)-1-benzothiophene-3-carboxamide?
N-(3-aminocyclopentyl)-1-benzothiophene-3-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclopentyl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 115272862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).