5-[2-(5-chlorothiophen-2-yl)ethylamino]pentan-1-ol

C11H18ClNOS — CID 106046424

IUPAC5-[2-(5-chlorothiophen-2-yl)ethylamino]pentan-1-ol
SMILESOCCCCCNCCc1ccc(Cl)s1
InChIInChI=1S/C11H18ClNOS/c12-11-5-4-10(15-11)6-8-13-7-2-1-3-9-14/h4-5,13-14H,1-3,6-9H2
InChIKeyZCYVZOCENDBESO-UHFFFAOYSA-N
MW247.79 g/mol
LogP2.70
Rot. Bonds8

About 5-[2-(5-chlorothiophen-2-yl)ethylamino]pentan-1-ol

5-[2-(5-chlorothiophen-2-yl)ethylamino]pentan-1-ol (PubChem CID 106046424) has the molecular formula C11H18ClNOS and a molecular weight of 247.79 g/mol. Its IUPAC name is 5-[2-(5-chlorothiophen-2-yl)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[2-(5-chlorothiophen-2-yl)ethylamino]pentan-1-ol
PubChem CID106046424
Molecular FormulaC11H18ClNOS
Molecular Weight247.79 g/mol
Exact Mass247.08
IUPAC Name5-[2-(5-chlorothiophen-2-yl)ethylamino]pentan-1-ol
SMILESOCCCCCNCCc1ccc(Cl)s1
InChIInChI=1S/C11H18ClNOS/c12-11-5-4-10(15-11)6-8-13-7-2-1-3-9-14/h4-5,13-14H,1-3,6-9H2
InChIKeyZCYVZOCENDBESO-UHFFFAOYSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 52.70
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-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylpentan-1-amine
CID 102671613
ethyl 6-[2-(5-chlorothiophen-2-yl)ethylamino]hexanoate
CID 106036708
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethoxypropan-1-amine
CID 106046471
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfonylpropan-1-amine
CID 106046353
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroethanamine
CID 106046426
tert-butyl N-[3-[2-(5-chlorothiophen-2-yl)ethylamino]propyl]carbamate
CID 107094658
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylprop-2-en-1-amine
CID 106046390
2-[(5-chlorothiophen-2-yl)methylamino]ethanol
CID 28878613
N-[2-(5-chlorothiophen-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 106046261
N-(2-butoxyethyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 106046388
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-imidazol-1-ylpropan-1-amine
CID 114140354
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 104668498

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-chlorothiophen-2-yl)ethylamino]pentan-1-ol?
The IUPAC name of 5-[2-(5-chlorothiophen-2-yl)ethylamino]pentan-1-ol (CID 106046424) is 5-[2-(5-chlorothiophen-2-yl)ethylamino]pentan-1-ol.
What is the SMILES notation for 5-[2-(5-chlorothiophen-2-yl)ethylamino]pentan-1-ol?
The canonical SMILES for 5-[2-(5-chlorothiophen-2-yl)ethylamino]pentan-1-ol is OCCCCCNCCc1ccc(Cl)s1.
What is the InChIKey of 5-[2-(5-chlorothiophen-2-yl)ethylamino]pentan-1-ol?
The InChIKey is ZCYVZOCENDBESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNOS/c12-11-5-4-10(15-11)6-8-13-7-2-1-3-9-14/h4-5,13-14H,1-3,6-9H2.
What are the key properties of 5-[2-(5-chlorothiophen-2-yl)ethylamino]pentan-1-ol?
5-[2-(5-chlorothiophen-2-yl)ethylamino]pentan-1-ol has a molecular weight of 247.79 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-chlorothiophen-2-yl)ethylamino]pentan-1-ol is sourced from PubChem (CID 106046424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).