N-[2-(hydroxymethyl)cyclopentyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide

C15H21NO2S — CID 103820511

IUPACN-[2-(hydroxymethyl)cyclopentyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
SMILESO=C(NC1CCCC1CO)C1CCCc2sccc21
InChIInChI=1S/C15H21NO2S/c17-9-10-3-1-5-13(10)16-15(18)12-4-2-6-14-11(12)7-8-19-14/h7-8,10,12-13,17H,1-6,9H2,(H,16,18)
InChIKeyNAGFRRSHZAOHFL-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.45
Rot. Bonds3

About N-[2-(hydroxymethyl)cyclopentyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide

N-[2-(hydroxymethyl)cyclopentyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide (PubChem CID 103820511) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclopentyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclopentyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
PubChem CID103820511
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-[2-(hydroxymethyl)cyclopentyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
SMILESO=C(NC1CCCC1CO)C1CCCc2sccc21
InChIInChI=1S/C15H21NO2S/c17-9-10-3-1-5-13(10)16-15(18)12-4-2-6-14-11(12)7-8-19-14/h7-8,10,12-13,17H,1-6,9H2,(H,16,18)
InChIKeyNAGFRRSHZAOHFL-UHFFFAOYSA-N
XLogP2.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-hydroxycyclohexyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
CID 104956627
N-[(2-chlorocyclopentyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
CID 114303134
4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid
CID 62841259
(2S)-4-hydroxy-2-(4,5,6,7-tetrahydro-1-benzothiophene-4-carbonylamino)butanoic acid
CID 107821949
N-[(3R)-piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
CID 113436662
N-(1-hydroxy-4-methylpentan-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
CID 103820504
N-(1-bromo-2-methylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
CID 114308036
N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103759058
N-[(2R)-1-aminopropan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
CID 104877059
3-chloro-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
CID 106364449
N-[2-(aminomethyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62956923
N-(2-amino-2-ethylbutyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
CID 115305837

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide (CID 103820511) is N-[2-(hydroxymethyl)cyclopentyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclopentyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclopentyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide is O=C(NC1CCCC1CO)C1CCCc2sccc21.
What is the InChIKey of N-[2-(hydroxymethyl)cyclopentyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide?
The InChIKey is NAGFRRSHZAOHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c17-9-10-3-1-5-13(10)16-15(18)12-4-2-6-14-11(12)7-8-19-14/h7-8,10,12-13,17H,1-6,9H2,(H,16,18).
What are the key properties of N-[2-(hydroxymethyl)cyclopentyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide?
N-[2-(hydroxymethyl)cyclopentyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide has a molecular weight of 279.40 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclopentyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide is sourced from PubChem (CID 103820511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).