6-[(1-thiophen-2-ylcyclohexanecarbonyl)amino]hexanoic acid

C17H25NO3S — CID 119220064

IUPAC6-[(1-thiophen-2-ylcyclohexanecarbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)C1(c2cccs2)CCCCC1
InChIInChI=1S/C17H25NO3S/c19-15(20)9-3-1-6-12-18-16(21)17(10-4-2-5-11-17)14-8-7-13-22-14/h7-8,13H,1-6,9-12H2,(H,18,21)(H,19,20)
InChIKeyUWWGAPRSGYJLOP-UHFFFAOYSA-N
MW323.46 g/mol
LogP3.71
Rot. Bonds8

About 6-[(1-thiophen-2-ylcyclohexanecarbonyl)amino]hexanoic acid

6-[(1-thiophen-2-ylcyclohexanecarbonyl)amino]hexanoic acid (PubChem CID 119220064) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is 6-[(1-thiophen-2-ylcyclohexanecarbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(1-thiophen-2-ylcyclohexanecarbonyl)amino]hexanoic acid
PubChem CID119220064
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC Name6-[(1-thiophen-2-ylcyclohexanecarbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)C1(c2cccs2)CCCCC1
InChIInChI=1S/C17H25NO3S/c19-15(20)9-3-1-6-12-18-16(21)17(10-4-2-5-11-17)14-8-7-13-22-14/h7-8,13H,1-6,9-12H2,(H,18,21)(H,19,20)
InChIKeyUWWGAPRSGYJLOP-UHFFFAOYSA-N
XLogP3.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-3-phenylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 71782253
N-[(3R)-3-hydroxy-3-phenylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 97038575
N-[2-(4-aminophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 119548840
N-[3-(dimethylamino)propyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 110698443
N-(2-amino-2-ethylbutyl)-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 119642271
5-[[(1-thiophen-2-ylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 119246078
2-chloro-1-(1-thiophen-2-ylcyclopentyl)ethanone
CID 131564842
N-[(2-hydroxycyclopentyl)methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 111471238
N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 91813402
5-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]pentanoic acid
CID 62032503
7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid
CID 106826162
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 71782161

Frequently Asked Questions

What is the IUPAC name of 6-[(1-thiophen-2-ylcyclohexanecarbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(1-thiophen-2-ylcyclohexanecarbonyl)amino]hexanoic acid (CID 119220064) is 6-[(1-thiophen-2-ylcyclohexanecarbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(1-thiophen-2-ylcyclohexanecarbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(1-thiophen-2-ylcyclohexanecarbonyl)amino]hexanoic acid is O=C(O)CCCCCNC(=O)C1(c2cccs2)CCCCC1.
What is the InChIKey of 6-[(1-thiophen-2-ylcyclohexanecarbonyl)amino]hexanoic acid?
The InChIKey is UWWGAPRSGYJLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S/c19-15(20)9-3-1-6-12-18-16(21)17(10-4-2-5-11-17)14-8-7-13-22-14/h7-8,13H,1-6,9-12H2,(H,18,21)(H,19,20).
What are the key properties of 6-[(1-thiophen-2-ylcyclohexanecarbonyl)amino]hexanoic acid?
6-[(1-thiophen-2-ylcyclohexanecarbonyl)amino]hexanoic acid has a molecular weight of 323.46 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-thiophen-2-ylcyclohexanecarbonyl)amino]hexanoic acid is sourced from PubChem (CID 119220064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).