5-[1-(5-chlorothiophen-2-yl)ethylamino]pentanoic acid

C11H16ClNO2S — CID 103243977

IUPAC5-[1-(5-chlorothiophen-2-yl)ethylamino]pentanoic acid
SMILESCC(NCCCCC(=O)O)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNO2S/c1-8(9-5-6-10(12)16-9)13-7-3-2-4-11(14)15/h5-6,8,13H,2-4,7H2,1H3,(H,14,15)
InChIKeySUIQNSYKYRUCHP-UHFFFAOYSA-N
MW261.77 g/mol
LogP3.31
Rot. Bonds7

About 5-[1-(5-chlorothiophen-2-yl)ethylamino]pentanoic acid

5-[1-(5-chlorothiophen-2-yl)ethylamino]pentanoic acid (PubChem CID 103243977) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is 5-[1-(5-chlorothiophen-2-yl)ethylamino]pentanoic acid.

Molecular Properties

Compound Name5-[1-(5-chlorothiophen-2-yl)ethylamino]pentanoic acid
PubChem CID103243977
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name5-[1-(5-chlorothiophen-2-yl)ethylamino]pentanoic acid
SMILESCC(NCCCCC(=O)O)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNO2S/c1-8(9-5-6-10(12)16-9)13-7-3-2-4-11(14)15/h5-6,8,13H,2-4,7H2,1H3,(H,14,15)
InChIKeySUIQNSYKYRUCHP-UHFFFAOYSA-N
XLogP3.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 53.31
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

3-[1-(5-chlorothiophen-2-yl)ethylamino]-N,N-diethylpropanamide
CID 54935393
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutan-1-amine
CID 114333254
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol
CID 43439192
N-tert-butyl-3-[1-(5-chlorothiophen-2-yl)ethylamino]propanamide
CID 112688580
4-[1-(5-chlorothiophen-2-yl)ethylamino]-N'-hydroxybutanimidamide
CID 77032296
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 43432672
N-[3-[1-(5-chlorothiophen-2-yl)ethylamino]propyl]methanesulfonamide
CID 113260011
1-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine
CID 80696138
N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine
CID 60887972
3-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]amino]-N-methylpropane-1-sulfonamide
CID 97353451
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate
CID 43438917
tert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]carbamate
CID 115607022

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-chlorothiophen-2-yl)ethylamino]pentanoic acid?
The IUPAC name of 5-[1-(5-chlorothiophen-2-yl)ethylamino]pentanoic acid (CID 103243977) is 5-[1-(5-chlorothiophen-2-yl)ethylamino]pentanoic acid.
What is the SMILES notation for 5-[1-(5-chlorothiophen-2-yl)ethylamino]pentanoic acid?
The canonical SMILES for 5-[1-(5-chlorothiophen-2-yl)ethylamino]pentanoic acid is CC(NCCCCC(=O)O)c1ccc(Cl)s1.
What is the InChIKey of 5-[1-(5-chlorothiophen-2-yl)ethylamino]pentanoic acid?
The InChIKey is SUIQNSYKYRUCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-8(9-5-6-10(12)16-9)13-7-3-2-4-11(14)15/h5-6,8,13H,2-4,7H2,1H3,(H,14,15).
What are the key properties of 5-[1-(5-chlorothiophen-2-yl)ethylamino]pentanoic acid?
5-[1-(5-chlorothiophen-2-yl)ethylamino]pentanoic acid has a molecular weight of 261.77 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-chlorothiophen-2-yl)ethylamino]pentanoic acid is sourced from PubChem (CID 103243977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).