5-amino-N-[1-(hydroxymethyl)cyclopentyl]-1-benzothiophene-2-carboxamide

C15H18N2O2S — CID 62522722

IUPAC5-amino-N-[1-(hydroxymethyl)cyclopentyl]-1-benzothiophene-2-carboxamide
SMILESNc1ccc2sc(C(=O)NC3(CO)CCCC3)cc2c1
InChIInChI=1S/C15H18N2O2S/c16-11-3-4-12-10(7-11)8-13(20-12)14(19)17-15(9-18)5-1-2-6-15/h3-4,7-8,18H,1-2,5-6,9,16H2,(H,17,19)
InChIKeyPYXGQXCWSUJKSS-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.52
Rot. Bonds3

About 5-amino-N-[1-(hydroxymethyl)cyclopentyl]-1-benzothiophene-2-carboxamide

5-amino-N-[1-(hydroxymethyl)cyclopentyl]-1-benzothiophene-2-carboxamide (PubChem CID 62522722) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 5-amino-N-[1-(hydroxymethyl)cyclopentyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[1-(hydroxymethyl)cyclopentyl]-1-benzothiophene-2-carboxamide
PubChem CID62522722
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name5-amino-N-[1-(hydroxymethyl)cyclopentyl]-1-benzothiophene-2-carboxamide
SMILESNc1ccc2sc(C(=O)NC3(CO)CCCC3)cc2c1
InChIInChI=1S/C15H18N2O2S/c16-11-3-4-12-10(7-11)8-13(20-12)14(19)17-15(9-18)5-1-2-6-15/h3-4,7-8,18H,1-2,5-6,9,16H2,(H,17,19)
InChIKeyPYXGQXCWSUJKSS-UHFFFAOYSA-N
XLogP2.52
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[4-(hydroxymethyl)oxan-4-yl]-1-benzothiophene-2-carboxamide
CID 106296661
2-[1-(1-benzothiophene-2-carbonylamino)cyclopentyl]acetic acid
CID 64673369
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1-benzothiophene-2-carboxamide
CID 62525440
5-amino-N-hydroxy-1-benzothiophene-2-carboxamide;ethane
CID 143296605
3-amino-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081511
5-amino-N-(3-hydroxy-2,2-dimethylpropyl)-1-benzothiophene-2-carboxamide
CID 115357836
5-amino-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62527413
5-amino-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 107843229
5-amino-N-(2-cyclopentylethyl)-1-benzothiophene-2-carboxamide
CID 61102153
5-amino-N-(2,2-difluoroethyl)-1-benzothiophene-2-carboxamide
CID 113303500
5-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1-benzothiophene-2-carboxamide
CID 107211414
5-amino-N-(2-hydroxycyclohexyl)-1-benzothiophene-2-carboxamide
CID 62366799

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(hydroxymethyl)cyclopentyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-amino-N-[1-(hydroxymethyl)cyclopentyl]-1-benzothiophene-2-carboxamide (CID 62522722) is 5-amino-N-[1-(hydroxymethyl)cyclopentyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-amino-N-[1-(hydroxymethyl)cyclopentyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-amino-N-[1-(hydroxymethyl)cyclopentyl]-1-benzothiophene-2-carboxamide is Nc1ccc2sc(C(=O)NC3(CO)CCCC3)cc2c1.
What is the InChIKey of 5-amino-N-[1-(hydroxymethyl)cyclopentyl]-1-benzothiophene-2-carboxamide?
The InChIKey is PYXGQXCWSUJKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c16-11-3-4-12-10(7-11)8-13(20-12)14(19)17-15(9-18)5-1-2-6-15/h3-4,7-8,18H,1-2,5-6,9,16H2,(H,17,19).
What are the key properties of 5-amino-N-[1-(hydroxymethyl)cyclopentyl]-1-benzothiophene-2-carboxamide?
5-amino-N-[1-(hydroxymethyl)cyclopentyl]-1-benzothiophene-2-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(hydroxymethyl)cyclopentyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 62522722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).