1-[1-(5-chlorothiophen-3-yl)ethylamino]pentan-2-ol

C11H18ClNOS — CID 102976587

IUPAC1-[1-(5-chlorothiophen-3-yl)ethylamino]pentan-2-ol
SMILESCCCC(O)CNC(C)c1csc(Cl)c1
InChIInChI=1S/C11H18ClNOS/c1-3-4-10(14)6-13-8(2)9-5-11(12)15-7-9/h5,7-8,10,13-14H,3-4,6H2,1-2H3
InChIKeyFHWCOVSTWOBTHV-UHFFFAOYSA-N
MW247.79 g/mol
LogP3.21
Rot. Bonds6

About 1-[1-(5-chlorothiophen-3-yl)ethylamino]pentan-2-ol

1-[1-(5-chlorothiophen-3-yl)ethylamino]pentan-2-ol (PubChem CID 102976587) has the molecular formula C11H18ClNOS and a molecular weight of 247.79 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophen-3-yl)ethylamino]pentan-2-ol.

Molecular Properties

Compound Name1-[1-(5-chlorothiophen-3-yl)ethylamino]pentan-2-ol
PubChem CID102976587
Molecular FormulaC11H18ClNOS
Molecular Weight247.79 g/mol
Exact Mass247.08
IUPAC Name1-[1-(5-chlorothiophen-3-yl)ethylamino]pentan-2-ol
SMILESCCCC(O)CNC(C)c1csc(Cl)c1
InChIInChI=1S/C11H18ClNOS/c1-3-4-10(14)6-13-8(2)9-5-11(12)15-7-9/h5,7-8,10,13-14H,3-4,6H2,1-2H3
InChIKeyFHWCOVSTWOBTHV-UHFFFAOYSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol
CID 102976600
3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-hydroxypropanamide
CID 106170372
3-[[1-(5-chlorothiophen-3-yl)ethylamino]methyl]pentan-3-ol
CID 102976523
2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propylacetamide
CID 102976301
2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 102976318
1-[1-(4-bromophenyl)ethylamino]pentan-2-ol
CID 111755561
3-[1-(5-chlorothiophen-3-yl)ethylamino]butan-1-ol
CID 102976617
1-(5-chlorothiophen-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 102976976
1-(5-chlorothiophen-3-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 102976720
N-tert-butyl-2-[1-(5-chlorothiophen-3-yl)ethylamino]acetamide
CID 102976365
1-(5-chlorothiophen-3-yl)-2-(methylamino)ethanol
CID 82656370
1-(5-chlorothiophen-3-yl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethanamine
CID 102976400

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chlorothiophen-3-yl)ethylamino]pentan-2-ol?
The IUPAC name of 1-[1-(5-chlorothiophen-3-yl)ethylamino]pentan-2-ol (CID 102976587) is 1-[1-(5-chlorothiophen-3-yl)ethylamino]pentan-2-ol.
What is the SMILES notation for 1-[1-(5-chlorothiophen-3-yl)ethylamino]pentan-2-ol?
The canonical SMILES for 1-[1-(5-chlorothiophen-3-yl)ethylamino]pentan-2-ol is CCCC(O)CNC(C)c1csc(Cl)c1.
What is the InChIKey of 1-[1-(5-chlorothiophen-3-yl)ethylamino]pentan-2-ol?
The InChIKey is FHWCOVSTWOBTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNOS/c1-3-4-10(14)6-13-8(2)9-5-11(12)15-7-9/h5,7-8,10,13-14H,3-4,6H2,1-2H3.
What are the key properties of 1-[1-(5-chlorothiophen-3-yl)ethylamino]pentan-2-ol?
1-[1-(5-chlorothiophen-3-yl)ethylamino]pentan-2-ol has a molecular weight of 247.79 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chlorothiophen-3-yl)ethylamino]pentan-2-ol is sourced from PubChem (CID 102976587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).