1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine

C13H20ClNS — CID 80528924

IUPAC1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine
SMILESCCNC(CC1CCCC1)c1sccc1Cl
InChIInChI=1S/C13H20ClNS/c1-2-15-12(9-10-5-3-4-6-10)13-11(14)7-8-16-13/h7-8,10,12,15H,2-6,9H2,1H3
InChIKeyLWSNAPIRADUVSD-UHFFFAOYSA-N
MW257.83 g/mol
LogP4.63
Rot. Bonds5

About 1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine

1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine (PubChem CID 80528924) has the molecular formula C13H20ClNS and a molecular weight of 257.83 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine
PubChem CID80528924
Molecular FormulaC13H20ClNS
Molecular Weight257.83 g/mol
Exact Mass257.10
IUPAC Name1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine
SMILESCCNC(CC1CCCC1)c1sccc1Cl
InChIInChI=1S/C13H20ClNS/c1-2-15-12(9-10-5-3-4-6-10)13-11(14)7-8-16-13/h7-8,10,12,15H,2-6,9H2,1H3
InChIKeyLWSNAPIRADUVSD-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.83
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 80529187
1-(3-chlorothiophen-2-yl)-N-ethyl-2-(thian-4-yl)ethanamine
CID 107361859
2-cyclobutyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115863425
2-cyclohexyl-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 115841954
N-[1-(3-chlorothiophen-2-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
CID 103163244
N-[1-(3-chlorothiophen-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 107360148
1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 103406220
1-(3-chlorothiophen-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 107359774
1-(3-chlorothiophen-2-yl)-N-ethyl-2-ethylsulfanylethanamine
CID 107359766
1-(3-chlorothiophen-2-yl)-4-ethoxy-N-ethylbutan-1-amine
CID 107361923
1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine
CID 115846003
1-(3-chlorothiophen-2-yl)-N-ethyl-3-methoxypropan-1-amine
CID 107359701

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine (CID 80528924) is 1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine is CCNC(CC1CCCC1)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine?
The InChIKey is LWSNAPIRADUVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNS/c1-2-15-12(9-10-5-3-4-6-10)13-11(14)7-8-16-13/h7-8,10,12,15H,2-6,9H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine?
1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine has a molecular weight of 257.83 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine is sourced from PubChem (CID 80528924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).