2-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]cyclopentan-1-ol

C12H17Cl2NOS — CID 103786858

IUPAC2-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]cyclopentan-1-ol
SMILESCC(NCC1CCCC1O)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H17Cl2NOS/c1-7(9-5-11(13)17-12(9)14)15-6-8-3-2-4-10(8)16/h5,7-8,10,15-16H,2-4,6H2,1H3
InChIKeyWUAUBVBKNVTDLV-UHFFFAOYSA-N
MW294.25 g/mol
LogP3.87
Rot. Bonds4

About 2-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]cyclopentan-1-ol

2-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]cyclopentan-1-ol (PubChem CID 103786858) has the molecular formula C12H17Cl2NOS and a molecular weight of 294.25 g/mol. Its IUPAC name is 2-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]cyclopentan-1-ol
PubChem CID103786858
Molecular FormulaC12H17Cl2NOS
Molecular Weight294.25 g/mol
Exact Mass293.04
IUPAC Name2-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]cyclopentan-1-ol
SMILESCC(NCC1CCCC1O)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H17Cl2NOS/c1-7(9-5-11(13)17-12(9)14)15-6-8-3-2-4-10(8)16/h5,7-8,10,15-16H,2-4,6H2,1H3
InChIKeyWUAUBVBKNVTDLV-UHFFFAOYSA-N
XLogP3.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044
2-[(propan-2-ylamino)methyl]cyclopentan-1-ol
CID 13133892
1-(2,5-dichlorothiophen-3-yl)-N-(1,4-dithian-2-ylmethyl)ethanamine
CID 113262622
1-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 102613567
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(2,5-dichlorothiophen-3-yl)ethanamine
CID 103781550
N-[(2,5-dichlorothiophen-3-yl)-(2-ethylcyclohexyl)methyl]ethanamine
CID 107968322
2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-5-methoxyphenol
CID 64928670
2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-4-methoxyphenol
CID 64927300
N-[cyclobutyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 43497808
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 103786746
2-[[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 81339392
cis-(1S,2R)-2-[[[(1S)-1-(2-methyl-3-nitrophenyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 97323079

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]cyclopentan-1-ol (CID 103786858) is 2-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]cyclopentan-1-ol is CC(NCC1CCCC1O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]cyclopentan-1-ol?
The InChIKey is WUAUBVBKNVTDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NOS/c1-7(9-5-11(13)17-12(9)14)15-6-8-3-2-4-10(8)16/h5,7-8,10,15-16H,2-4,6H2,1H3.
What are the key properties of 2-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]cyclopentan-1-ol?
2-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]cyclopentan-1-ol has a molecular weight of 294.25 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103786858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).